* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    248     478
    1     0 S   NP   _N1_     1    32.75751   101.63362   -20.91221
    2     1 S   H    _HN1     2     1.02861   112.30533   146.88243
    3     1 S   H    _H1_     3     1.03455   125.68443   -78.91922
    4     1 S   H    _H2_     4     1.02741    25.33891  -129.41814
    5     1 S   CT   _CA1     5     1.50402    87.16136    36.24160
    6     5 S   HC   _HA1     6     1.09580   104.65536   176.30302
    7     5 S   CO3  _C1_     7     1.54754   111.24649    60.03984
    8     7 S   O2Z  _O11     8     1.26086   116.65700  -136.72243
    9     7 S   O2Z  _O12     9     1.26629   113.99295    42.29757
   10     5 S   CT   _CB1    10     1.53393   106.90987   -66.72972
   11    10 S   HC   HB11    11     1.09734   110.52313   -36.12191
   12    10 S   HC   HB12    12     1.09796   108.87662    79.94604
   13    10 S   CT   _CG1    13     1.53167   112.95549  -159.41512
   14    13 S   HC   HG11    14     1.09677   109.68344  -135.68988
   15    13 S   HC   HG12    15     1.09393   112.27428   -17.13995
   16    13 S   C    _CD1    16     1.51503   111.15293   106.33041
   17    16 S   O    _OE1    17     1.22929   121.34473    89.51984
   18    16 S   N    _N2_    18     1.38324   113.58542   -89.00735
   19    18 S   H    _HN2    19     1.01686   119.42038     0.15826
   20    18 S   CT1  _CA2    20     1.46215   122.94061  -179.83214
   21    20 S   HC   _HA2    21     1.09718   109.17749     6.30472
   22    20 S   C    _C2_    22     1.53643   110.23618  -109.83488
   23    22 S   O    _O2_    23     1.23178   121.83785  -153.36880
   24    20 S   CT   _CB2    32     1.53299   111.62123   127.88167
   25    24 S   HC   HB21    33     1.09082   109.28564    60.32902
   26    24 S   HC   HB22    34     1.09539   110.42672   177.56989
   27    22 S   N    _N3_    24     1.38255   114.55333    34.06122
   28    27 S   H    _HN3    25     1.01515   119.61323    -2.90885
   29    24 S   S    _SG2    35     1.82706   113.00005   -63.14741
   30    27 S   CT   _CA3    26     1.45411   122.55046   176.19666
   31    30 S   HC   HA31    27     1.09553   107.10498   -73.47595
   32    30 S   HC   HA32    28     1.09572   108.40368    42.89288
   33    29 S   CT   _C26    36     1.84339   100.16327   127.03016
   34    33 S   HC   _H3_    37     1.09435   106.10661    49.25593
   35    30 S   CO3  _C3_    29     1.52721   114.61442   165.15400
   36    35 S   O2Z  _O31    30     1.26354   116.16227    -3.00290
   37    35 S   O2Z  _O32    31     1.26384   114.53549   177.36678
   38    33 S   CM   _C15    38     1.53225   110.67416   -72.44612
   39    33 S   CT   _C23    89     1.53045   108.67672   162.84807
   40    39 S   HC   _H49    90     1.09566   112.70784    57.01829
   41    39 S   HC   _H50    91     1.09631   110.80664   -63.60618
   42    39 S   HC   _H51    92     1.09507   110.69745   177.68429
   43    38 S   CMA  _C16    39     1.36854   123.14372   112.65014
   44    43 S   OM   _O25    40     1.26855   125.27214  -176.00914
   45    38 S   CT   _C22    85     1.52235   115.20442   -68.53172
   46    45 S   HC   _H46    86     1.09471   110.18650   -65.33217
   47    45 S   HC   _H47    87     1.09405   113.55428   175.27578
   48    45 S   HC   _H48    88     1.09361   111.27029    55.04141
   49    43 S   OS   _O30    41     1.41833   112.30236     2.25759
   50    49 S   CT   _C18    42     1.42966   115.31881   131.42947
   51    50 S   HC   _H38    43     1.09594   113.57339    32.08873
   52    50 S   CA   _C7_    44     1.48874   110.23722   -95.48283
   53    52 S   CA   _C8_    45     1.38474   109.90597  -102.93210
   54    53 S   CA   _C5_    46     1.38359   122.29445   176.82849
   55    54 S   HA   _H34    47     1.08455   121.10678  -179.40719
   56    53 S   OS   _O29    59     1.36892   113.90171    -2.75762
   57    54 S   CA   _C4_    48     1.39763   118.19843     0.88027
   58    57 S   HA   _H33    49     1.08749   119.02988   179.92598
   59    50 S   CT   _C19    60     1.55783   112.01110   155.92648
   60    59 S   HC   _H39    61     1.10085   106.55492  -152.99073
   61    57 S   CA   _C6_    50     1.40512   120.42177     0.03956
   62    59 S   CT   _C27    62     1.55311   118.23218   -30.66997
   63    52 S   CA   _C9_    51     1.38343   130.73201    75.14984
   64    62 S   CT   _C24    63     1.54190   110.79479  -161.24597
   65    64 S   HC   _H52    64     1.09615   110.71808   175.03067
   66    64 S   HC   _H53    65     1.09420   111.98621    56.44377
   67    64 S   HC   _H54    66     1.09535   111.57693   -63.96693
   68    62 S   CT   _C25    67     1.54072   112.06337    80.37152
   69    68 S   HC   _H55    68     1.09661   110.64299  -172.68560
   70    68 S   HC   _H56    69     1.09029   111.98905   -54.38873
   71    68 S   HC   _H57    70     1.09520   112.12335    66.59565
   72    62 S   OS   _O33    71     1.45334   112.02872   -38.29549
   73    63 S   OS   _O28    52     1.40487   119.13848     3.14591
   74    72 S   CO4  _C17    72     1.35826   121.41772   -59.68441
   75    74 S   O    _O27    73     1.22095   126.62832    -0.61294
   76    73 S   CO4  _C12    53     1.38950   121.66364  -178.52051
   77    76 S   O    _O26    54     1.22604   122.26477   178.98394
   78    74 S   CM   _C14    74     1.48960   108.86091  -179.46587
   79    76 S   CM   _C11    55     1.47432   116.78039    -1.23828
   80    79 S   HC   _H36    56     1.08423   117.07208  -179.53145
   81    78 S   CM   _C13    75     1.34540   120.95010  -149.32324
   82    81 S   HC   _H37    76     1.08877   117.73926  -177.42701
   83    78 S   CT   _C21    81     1.50146   117.48614    32.71003
   84    83 S   HC   _H43    82     1.09425   110.31280   -70.79374
   85    83 S   HC   _H44    83     1.09503   110.62522    49.53677
   86    83 S   HC   _H45    84     1.09517   112.10390   169.32665
   87    61 S   CM   _C10    57     1.45390   121.75979  -179.86878
   88    87 S   HC   _H35    58     1.08434   119.08045    -0.37846
   89    81 S   CT   _C20    77     1.49552   128.70916     5.12247
   90    89 S   HC   _H40    78     1.09383   110.10754  -104.53024
   91    89 S   HC   _H41    79     1.09519   109.29050   136.97423
   92    89 S   HC   _H42    80     1.09223   113.47691    18.09833
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  13  11   8   4   8   7   3  13   4   7  12   6   9
   4   3   2   5   3   2   1   5   5   9   3   5   3  10   3   2
   9   5   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    59    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    63    56    59    60    62  
   51    52    53    54    61    63    73    56    59    60    62    64    68    72  
   52    53    63    56    59    60    62  
   53    54    55    57    61    63    73    76    87    56    59    60    62  
   54    55    57    58    61    63    73    56    59    60    62  
   55    57    58    61    63    87    56    59  
   57    58    61    56  
   59    60    62    64    68    72    57    63  
   58    61    63    73    79    87    88  
   61    63    87  
   60    62    64    65    66    67    68    69    70    71    72    74    63  
   62    64    68    72  
   63    73    76    79    80    87    88  
   64    65    66    67    68    69    70    71    72    74    75    78  
   73    76    77    79    87    88  
   65    66    67    68    69    70    71    72    74  
   66    67    68    72  
   67    68    72  
   68    72  
   69    70    71    72    74  
   70    71    72  
   71    72  
   72  
   74    75    78    81    83  
   76    77    79    80    87  
   75    78    81    82    89    83    84    85    86  
   78    81    83  
   77    79    80    87    88  
   79    80    87  
   81    82    89    90    91    92    83    84    85    86  
   80    87    88  
   87    88  
   82    89    90    91    92    83    84    85    86  
   89    90    91    92    83  
   84    85    86    89  
   85    86  
   86  
    0  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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    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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    59   268.000  1.529
   52    53   469.000  1.400
   52    63   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    63   469.000  1.400
   61    87   320.000  1.460
   63    73   450.000  1.364
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    79   320.000  1.462
   79    80   340.000  1.080
   79    87   549.000  1.340
   87    88   340.000  1.080
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   62    64   268.000  1.529
   62    68   268.000  1.529
   62    72   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   320.000  1.462
   78    81   549.000  1.340
   78    83   317.000  1.510
   81    82   340.000  1.080
   81    89   317.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    59    50.00000  109.50000
   50    52    53    70.00000  120.00000
   50    52    63    70.00000  120.00000
   50    59    56    50.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    62    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    70.00000  120.00000
   52    63    61    63.00000  120.00000
   52    63    73    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    63    63.00000  120.00000
   57    61    87    60.00000  120.93500
   61    57    58    35.00000  120.00000
   61    63    73    70.00000  120.00000
   61    87    79    60.00000  123.20500
   61    87    88    40.00000  117.26300
   63    52    53    63.00000  120.00000
   63    73    76    85.00000  115.98000
   73    76    77    83.00000  123.40000
   73    76    79    90.00000  111.29400
   76    79    80    40.00000  117.72500
   76    79    87    65.00000  118.96000
   79    76    77    80.00000  123.72100
   79    87    88    35.00000  120.00000
   87    61    63    60.00000  120.93500
   87    79    80    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    62    50.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    52    70.00000  112.17500
   59    62    64    58.35000  112.70000
   59    62    68    58.35000  112.70000
   59    62    72    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   62    72    74    83.00000  116.90000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    62    64    50.00000  109.50000
   72    62    68    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    90.00000  111.29400
   74    78    81    65.00000  118.96000
   74    78    83    65.00000  116.34900
   78    74    75    80.00000  123.72100
   78    81    82    35.00000  120.00000
   78    81    89    70.00000  124.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    89    90    35.00000  109.50000
   81    89    91    35.00000  109.50000
   81    89    92    35.00000  109.50000
   89    81    82    35.00000  117.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    78    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   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    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    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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  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    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    59  -0.46850  1.0 1.0
   43    49    50    59   0.09300 -1.0 2.0
   43    49    50    59  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.64500  1.0 1.0
   49    50    52    53   0.14800 -1.0 2.0
   49    50    52    53   0.20650  1.0 3.0
   49    50    52    63   0.64500  1.0 1.0
   49    50    52    63   0.14800 -1.0 2.0
   49    50    52    63   0.20650  1.0 3.0
   49    50    59    56   1.11900  1.0 1.0
   49    50    59    56  -1.16350 -1.0 2.0
   49    50    59    56  -0.34150  1.0 3.0
   49    50    59    60   0.23400  1.0 3.0
   49    50    59    62   0.62750  1.0 1.0
   49    50    59    62  -0.30950 -1.0 2.0
   49    50    59    62   0.27300  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    56   3.62500 -1.0 2.0
   50    52    63    61   3.62500 -1.0 2.0
   50    52    63    73   3.62500 -1.0 2.0
   50    59    62    64   0.56750  1.0 1.0
   50    59    62    64  -0.07550 -1.0 2.0
   50    59    62    64   0.20000  1.0 3.0
   50    59    62    68   0.56750  1.0 1.0
   50    59    62    68  -0.07550 -1.0 2.0
   50    59    62    68   0.20000  1.0 3.0
   50    59    62    72   0.62750  1.0 1.0
   50    59    62    72  -0.30950 -1.0 2.0
   50    59    62    72   0.27300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    63   0.00000  1.0 1.0
   51    50    59    56   0.23400  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   52    50   -59    56  -0.64350  1.0 1.0
   52    50   -59    56  -0.04200 -1.0 2.0
   52    50   -59    56   0.19800  1.0 3.0
   52    50    59    60   0.43200  1.0 3.0
   52    50    59    62  -0.03700  1.0 1.0
   52    50    59    62   0.37200 -1.0 2.0
   52    50    59    62  -0.47300  1.0 3.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53   -56    59   1.63200 -1.0 2.0
   52    63    73    76   0.01300  1.0 1.0
   52    63    73    76   0.97950 -1.0 2.0
   52    63    73    76  -0.55700  1.0 3.0
   53    52    63    61   3.62500 -1.0 2.0
   53    52    63    73   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    54   -57    61   3.62500 -1.0 2.0
   53    56   -59    50  -0.32850  1.0 1.0
   53    56   -59    50  -0.35800 -1.0 2.0
   53    56   -59    50   0.33950  1.0 3.0
   53    56    59    60   0.08050  1.0 3.0
   53    56    59    62  -0.32850  1.0 1.0
   53    56    59    62  -0.35800 -1.0 2.0
   53    56    59    62   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   54    57    61    63   3.62500 -1.0 2.0
   54    57    61    87   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61   -63    52   3.62500 -1.0 2.0
   57    61    63    73   3.62500 -1.0 2.0
   57    61    87    79   0.15800  1.0 1.0
   57    61    87    79   1.85350 -1.0 2.0
   57    61    87    79  -0.48700  1.0 3.0
   57    61    87    88   0.56550  1.0 3.0
   58    57    61    63   3.62500 -1.0 2.0
   58    57    61    87   3.62500 -1.0 2.0
   61    63    73    76   0.01300  1.0 1.0
   61    63    73    76   0.97950 -1.0 2.0
   61    63    73    76  -0.55700  1.0 3.0
   63    52   -53    54   3.62500 -1.0 2.0
   63    52    53    56   3.62500 -1.0 2.0
   63    61    87    79   0.15800  1.0 1.0
   63    61    87    79   1.85350 -1.0 2.0
   63    61    87    79  -0.48700  1.0 3.0
   63    61    87    88   0.56550  1.0 3.0
   63    73    76    77   3.00000 -1.0 2.0
   63    73   -76    79   2.00000 -1.0 2.0
   73    76    79    80   1.63100 -1.0 2.0
   73    76    79    87  -0.56150  1.0 1.0
   73    76    79    87   2.19150 -1.0 2.0
   76    79   -87    61   7.00000 -1.0 2.0
   76    79    87    88   7.00000 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    87   1.00000 -1.0 2.0
   80    79    87    61   7.00000 -1.0 2.0
   80    79    87    88   7.00000 -1.0 2.0
   87    61    63    52   3.62500 -1.0 2.0
   87    61   -63    73   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    62    64   0.62750  1.0 1.0
   56    59    62    64  -0.30950 -1.0 2.0
   56    59    62    64   0.27300  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   56    59    62    72   1.11900  1.0 1.0
   56    59    62    72  -1.16350 -1.0 2.0
   56    59    62    72  -0.34150  1.0 3.0
   59    50   -52    53   0.04150 -1.0 2.0
   59    50    52    63   0.04150 -1.0 2.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.15000  1.0 3.0
   59    62    64    67   0.15000  1.0 3.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    70   0.15000  1.0 3.0
   59    62    68    71   0.15000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    78   2.00000 -1.0 2.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   64    62    72    74  -0.25900  1.0 1.0
   64    62    72    74  -0.47000 -1.0 2.0
   64    62    72    74   0.11750  1.0 3.0
   68    62    64    65   0.15000  1.0 3.0
   68    62    64    66   0.15000  1.0 3.0
   68    62    64    67   0.15000  1.0 3.0
   68    62    72    74  -0.25900  1.0 1.0
   68    62    72    74  -0.47000 -1.0 2.0
   68    62    72    74   0.11750  1.0 3.0
   72    62    64    65   0.23400  1.0 3.0
   72    62    64    66   0.23400  1.0 3.0
   72    62    64    67   0.23400  1.0 3.0
   72    62    68    69   0.23400  1.0 3.0
   72    62    68    70   0.23400  1.0 3.0
   72    62    68    71   0.23400  1.0 3.0
   72    74    78    81  -0.56150  1.0 1.0
   72    74    78    81   2.19150 -1.0 2.0
   72    74    78    83  -0.15000  1.0 1.0
   72    74    78    83   0.89550 -1.0 2.0
   72    74    78    83  -0.06900  1.0 3.0
   74    78    81    82   7.00000 -1.0 2.0
   74    78    81    89   7.00000 -1.0 2.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86   0.15000  1.0 3.0
   75    74    78    81   1.00000 -1.0 2.0
   75    74    78    83  -0.64400  1.0 1.0
   75    74    78    83   0.26850 -1.0 2.0
   78    81    89    90   0.00000  1.0 1.0
   78    81    89    91   0.00000  1.0 1.0
   78    81    89    92   0.00000  1.0 1.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.00000  1.0 1.0
   82    81    89    90   0.33100  1.0 3.0
   82    81    89    91   0.33100  1.0 3.0
   82    81    89    92   0.33100  1.0 3.0
   83    78    81    82   7.00000 -1.0 2.0
   83    78    81    89   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   53    63    52    50   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   63    87    61    57   4.00000 -1.0 2.0
   61    73    63    52   4.00000 -1.0 2.0
   73    79    76    77  10.50000 -1.0 2.0
   76    80    79    87   1.10000 -1.0 2.0
   61    88    87    79   1.10000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
   74    83    78    81  15.00000 -1.0 2.0
   89    82    81    78  15.00000 -1.0 2.0
END
