* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    164    245     478
    1     0 S   NP   _N1_     1    29.01678    97.94193   -21.43250
    2     1 S   H    _HN1     2     1.02828    52.13980   159.95713
    3     1 S   H    _H1_     3     1.02782    94.41785   -90.76555
    4     1 S   H    _H2_     4     1.02949    64.01683    17.51891
    5     1 S   CT   _CA1     5     1.50108   152.69644   101.85278
    6     5 S   HC   _HA1     6     1.09573   105.20616   104.99541
    7     5 S   CO3  _C1_     7     1.53787   112.45623   -15.24650
    8     7 S   O2Z  _O11     8     1.26370   115.00106   -42.79192
    9     7 S   O2Z  _O12     9     1.26241   114.95270   136.36749
   10     5 S   CT   _CB1    10     1.53088   107.42958  -137.02491
   11    10 S   HC   HB11    11     1.09831   109.37460   -49.96800
   12    10 S   HC   HB12    12     1.09813   110.44718    66.64312
   13    10 S   CT   _CG1    13     1.52982   112.59031  -170.96123
   14    13 S   HC   HG11    14     1.09586   110.60001   -65.26602
   15    13 S   HC   HG12    15     1.09672   109.80507    53.94731
   16    13 S   C    _CD1    16     1.51805   112.29445   174.39702
   17    16 S   O    _OE1    17     1.22725   123.30120     5.45287
   18    16 S   N    _N2_    18     1.38651   111.59160  -174.54910
   19    18 S   H    _HN2    19     1.01574   118.96241     1.81564
   20    18 S   CT1  _CA2    20     1.46251   123.48288   177.79362
   21    20 S   HC   _HA2    21     1.09731   109.28699     3.85803
   22    20 S   C    _C2_    22     1.53647   109.10897  -111.68995
   23    22 S   O    _O2_    23     1.23066   122.21961  -152.85156
   24    20 S   CT   _CB2    32     1.53333   111.30048   125.78731
   25    24 S   HC   HB21    33     1.09565   109.80231    55.11411
   26    24 S   HC   HB22    34     1.09448   110.24048   174.35104
   27    22 S   N    _N3_    24     1.38292   113.93787    34.62486
   28    27 S   H    _HN3    25     1.01564   119.55986    -3.33537
   29    24 S   S    _SG2    35     1.82870   111.43233   -65.61626
   30    27 S   CT   _CA3    26     1.45275   123.22189   177.18610
   31    30 S   HC   HA31    27     1.09548   107.53309   -64.33679
   32    30 S   HC   HA32    28     1.09559   107.96909    52.10893
   33    29 S   CT   _C23    36     1.83621    99.69450   169.05263
   34    33 S   HC   _H3_    37     1.09427   105.93370   -53.31598
   35    30 S   CO3  _C3_    29     1.52956   114.05712   174.10695
   36    35 S   O2Z  _O31    30     1.26384   116.05968    -0.02798
   37    35 S   O2Z  _O32    31     1.26429   114.41501  -179.96574
   38    33 S   CM   _C9_    38     1.53271   111.42482    68.46378
   39    33 S   CT   _C17    86     1.53104   108.89835  -166.41561
   40    39 S   HC   _H41    87     1.09572   112.68249   -57.90861
   41    39 S   HC   _H42    88     1.09610   110.52373  -178.55612
   42    39 S   HC   _H43    89     1.09636   110.86269    62.79241
   43    38 S   CMA  _C10    39     1.36821   122.85985  -110.44270
   44    43 S   OM   _O21    40     1.26890   125.36243  -179.31187
   45    38 S   CT   _C15    82     1.52120   115.27913    70.93575
   46    45 S   HC   _H35    83     1.09418   111.00635   -52.23242
   47    45 S   HC   _H36    84     1.09424   113.46941  -171.84871
   48    45 S   HC   _H37    85     1.09465   110.29166    68.10380
   49    43 S   OS   _O26    41     1.41657   111.52238     2.23441
   50    49 S   CT   _C12    42     1.44350   117.59119  -145.25980
   51    50 S   HC   _H32    43     1.09475   110.07368   -45.03831
   52    50 S   CM   _C5_    44     1.52803   105.72810  -162.29408
   53    52 S   CM   _C4_    45     1.35613   120.33235   -91.76042
   54    52 S   CT   _C22    65     1.53751   115.72065    88.54816
   55    54 S   HC   _H52    66     1.09203   109.76718  -172.12206
   56    53 S   CT   _C11    46     1.51749   122.46825    -0.33102
   57    56 S   HC   _H30    47     1.09846   107.86615   114.68101
   58    56 S   HC   _H31    48     1.09832   108.39633  -131.59997
   59    53 S   CT   _C18    60     1.51131   125.40534   178.60030
   60    59 S   HC   _H44    61     1.08980   114.58971   -16.33137
   61    59 S   HC   _H45    62     1.09618   109.88213  -135.91582
   62    54 S   CT   _C16    67     1.53314   112.18544   -55.69614
   63    62 S   HC   _H38    68     1.09446   111.95864    72.53284
   64    62 S   HC   _H39    69     1.09482   110.86955   -48.72704
   65    62 S   HC   _H40    70     1.09485   110.95889  -167.41008
   66    54 S   CT   _C20    71     1.54531   110.84037    70.91394
   67    66 S   HC   _H48    72     1.09643   110.49301   -69.75638
   68    66 S   HC   _H49    73     1.09801   109.00313    47.29993
   69    56 S   CT   _C14    49     1.53413   117.58263    -7.24289
   70    69 S   HC   _H34    50     1.09604   109.82693   111.58974
   71    59 S   OH   _O24    63     1.42165   108.95210   105.36855
   72    71 S   HO   _H54    64     0.97217   107.02122   178.12831
   73    66 S   CT   _C19    74     1.53066   113.25070   168.18544
   74    73 S   HC   _H46    75     1.09700   110.31183   -54.29700
   75    73 S   HC   _H47    76     1.09603   110.78926    62.82968
   76    50 S   CT   _C13    51     1.53404   109.57549    74.82269
   77    76 S   HC   _H33    52     1.09885   109.76025   -50.52668
   78    73 S   CT   _C21    77     1.52316   111.44844  -175.83407
   79    78 S   HC   _H50    78     1.09466   110.92661    60.47168
   80    78 S   HC   _H51    79     1.09467   110.88184   -60.80272
   81    76 S   CM   _C6_    53     1.49235   119.23149  -173.23595
   82    78 S   OH   _O25    80     1.42100   108.89184   179.81129
   83    82 S   HO   _H55    81     0.97236   107.03692   179.75371
   84    81 S   CO4  _C7_    54     1.47987   107.53750  -149.85302
   85    84 S   O    _O22    55     1.21724   127.21546  -168.31747
   86    81 S   CM   _C8_    57     1.33505   130.56129    29.26493
   87    86 S   HC   _H28    58     1.08410   121.26348     1.11663
   88    86 S   HC   _H29    59     1.08519   121.56335  -179.38930
   89    69 S   OS   _O23    56     1.44488   108.53712  -131.02912
  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  17   7  22  16  15   8  13   6   5   5   3   2   7   3   2
   1   9   5   4   8   5   1   1   7   5   4   8   4   4   3   2
   6   1   1   5   2   3   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    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    76    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    69    76    77    81    54  
   51    52    53    56    69    70    76    77    81    84    89    86    59    54    55    62    66  
   52    53    69    76    77    81    54  
   53    56    57    58    69    76    77    81    59    60    61    71    54    55    62    63    64    65    66    67    68    73  
   56    57    58    69    70    76    89    59    60    61    71    72    54    55    62    66  
   55    62    63    64    65    66    67    68    73    74    75    78    56    59    76  
   62    63    64    65    66    67    68    73  
   57    58    69    70    76    77    81    84    89    59    60    61    71  
   58    69    70    76    89    59  
   69    70    76    89    59  
   60    61    71    72    69  
   61    71    72  
   71    72  
   63    64    65    66    67    68    73  
   64    65    66  
   65    66  
   66  
   67    68    73    74    75    78    79    80    82  
   68    73    74    75    78  
   73    74    75    78  
   70    76    77    81    84    85    89    86  
   76    77    81    84    89  
   72  
    0  
   74    75    78    79    80    82    83  
   75    78    79    80    82  
   78    79    80    82  
   77    81    84    85    89    86    87    88  
   81    84    89    86  
   79    80    82    83  
   80    82    83  
   82    83  
   84    85    89    86    87    88  
   83  
    0  
   85    89    86    87    88  
   89    86  
   87    88    89  
   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  -0.335000   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   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   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   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    76   268.000  1.529
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    56   317.000  1.510
   53    59   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    69   268.000  1.529
   69    70   340.000  1.090
   69    76   268.000  1.529
   69    89   320.000  1.410
   76    77   340.000  1.090
   76    81   317.000  1.510
   81    84   320.000  1.462
   81    86   549.000  1.340
   84    85   570.000  1.229
   84    89   214.000  1.327
   86    87   340.000  1.080
   86    88   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    71   320.000  1.410
   71    72   553.000  0.945
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   320.000  1.410
   82    83   553.000  0.945
   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  110.90400
   49    50    76    50.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    54    65.00000  117.92700
   50    76    69    58.35000  112.70000
   50    76    77    37.50000  110.70000
   50    76    81    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    53    56    70.00000  124.00000
   52    53    59    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    62    70.00000  112.02700
   52    54    66    70.00000  112.02700
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    69    70.00000  112.02700
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    71    90.00000  110.39200
   56    69    70    37.50000  110.70000
   56    69    76    58.35000  112.70000
   56    69    89    50.00000  109.50000
   58    56    57    33.00000  107.80000
   69    56    57    37.50000  110.70000
   69    56    58    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    81    70.00000  112.02700
   69    89    84    83.00000  116.90000
   76    50    51    37.50000  110.70000
   76    50    52    70.00000  112.02700
   76    69    70    37.50000  110.70000
   76    81    84    65.00000  116.34900
   76    81    86    70.00000  124.00000
   81    76    77    35.00000  109.50000
   81    84    85    80.00000  123.72100
   81    84    89    90.00000  111.29400
   81    86    87    35.00000  120.00000
   81    86    88    35.00000  120.00000
   89    69    70    35.00000  109.50000
   89    69    76    50.00000  109.50000
   89    84    85    83.00000  123.40000
   86    81    84    65.00000  118.96000
   88    86    87    35.00000  117.00000
   59    53    56    65.00000  117.92700
   59    71    72    55.00000  108.50000
   61    59    60    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    61    35.00000  109.50000
   54    52    53    70.00000  124.00000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    73    58.35000  112.70000
   62    54    55    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    54    55    37.50000  110.70000
   66    54    62    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    82    50.00000  109.50000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    82    83    55.00000  108.50000
   80    78    79    33.00000  107.80000
   82    78    79    35.00000  109.50000
   82    78    80    35.00000  109.50000
   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    76  -0.46850  1.0 1.0
   43    49    50    76   0.09300 -1.0 2.0
   43    49    50    76  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.39000  1.0 1.0
   49    50    52    53  -0.05800 -1.0 2.0
   49    50    52    53  -0.55150  1.0 3.0
   49    50    52    54   0.09700  1.0 1.0
   49    50    52    54   0.15600 -1.0 2.0
   49    50    52    54  -0.50800  1.0 3.0
   49    50    76    69   0.62750  1.0 1.0
   49    50    76    69  -0.30950 -1.0 2.0
   49    50    76    69   0.27300  1.0 3.0
   49    50    76    77   0.23400  1.0 3.0
   49    50    76    81   0.61850  1.0 1.0
   49    50    76    81  -0.22750 -1.0 2.0
   49    50    76    81   0.15300  1.0 3.0
   50    52    53    56   7.00000 -1.0 2.0
   50    52    53    59   7.00000 -1.0 2.0
   50    52    54    55   0.34800  1.0 3.0
   50    52    54    62   0.46850  1.0 1.0
   50    52    54    62   0.08550 -1.0 2.0
   50    52    54    62   0.09800  1.0 3.0
   50    52    54    66   0.46850  1.0 1.0
   50    52    54    66   0.08550 -1.0 2.0
   50    52    54    66   0.09800  1.0 3.0
   50    76    81    84   0.09700  1.0 1.0
   50    76    81    84   0.15600 -1.0 2.0
   50    76    81    84  -0.50800  1.0 3.0
   50    76    81    86   0.09850  1.0 1.0
   50    76    81    86   0.15250 -1.0 2.0
   50    76    81    86  -0.50650  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    76    69   0.15000  1.0 3.0
   51    50    76    77   0.15000  1.0 3.0
   51    50    76    81   0.15000  1.0 3.0
   52    50    76    69   0.34400  1.0 1.0
   52    50    76    69   0.09450 -1.0 2.0
   52    50    76    69   0.11100  1.0 3.0
   52    50    76    77   0.15000  1.0 3.0
   52    50    76    81   0.31000  1.0 1.0
   52    50    76    81   0.14700 -1.0 2.0
   52    50    76    81   0.07550  1.0 3.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53   -56    69   0.09850  1.0 1.0
   52    53   -56    69   0.15250 -1.0 2.0
   52    53   -56    69  -0.50650  1.0 3.0
   52    53    59    60   0.00000  1.0 1.0
   52    53    59    61   0.00000  1.0 1.0
   52    53    59    71   0.67800  1.0 1.0
   52    53    59    71   0.47050 -1.0 2.0
   52    53    59    71  -0.62500  1.0 3.0
   52    54    62    63   0.15000  1.0 3.0
   52    54    62    64   0.15000  1.0 3.0
   52    54    62    65   0.15000  1.0 3.0
   52    54    66    67   0.15000  1.0 3.0
   52    54    66    68   0.15000  1.0 3.0
   52    54    66    73   0.34400  1.0 1.0
   52    54    66    73   0.09450 -1.0 2.0
   52    54    66    73   0.11100  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    62   0.09850  1.0 1.0
   53    52    54    62   0.15250 -1.0 2.0
   53    52    54    62  -0.50650  1.0 3.0
   53    52    54    66   0.09850  1.0 1.0
   53    52    54    66   0.15250 -1.0 2.0
   53    52    54    66  -0.50650  1.0 3.0
   53    56    69    70   0.15000  1.0 3.0
   53    56    69    76   0.34400  1.0 1.0
   53    56    69    76   0.09450 -1.0 2.0
   53    56    69    76   0.11100  1.0 3.0
   53    56    69    89   0.61850  1.0 1.0
   53    56    69    89  -0.22750 -1.0 2.0
   53    56    69    89   0.15300  1.0 3.0
   53    59    71    72  -0.07800  1.0 1.0
   53    59    71    72  -0.21500 -1.0 2.0
   53    59    71    72  -0.03150  1.0 3.0
   56    53    59    60   0.34800  1.0 3.0
   56    53    59    61   0.34800  1.0 3.0
   56    53    59    71   0.18000  1.0 1.0
   56    53    59    71   0.16450 -1.0 2.0
   56    53    59    71   0.04450  1.0 3.0
   56    69   -76    50   0.56750  1.0 1.0
   56    69   -76    50  -0.07550 -1.0 2.0
   56    69   -76    50   0.20000  1.0 3.0
   56    69    76    77   0.15000  1.0 3.0
   56    69    76    81   0.34400  1.0 1.0
   56    69    76    81   0.09450 -1.0 2.0
   56    69    76    81   0.11100  1.0 3.0
   56    69    89    84  -0.25900  1.0 1.0
   56    69    89    84  -0.47000 -1.0 2.0
   56    69    89    84   0.11750  1.0 3.0
   57    56    69    70   0.15000  1.0 3.0
   57    56    69    76   0.15000  1.0 3.0
   57    56    69    89   0.23400  1.0 3.0
   58    56    69    70   0.15000  1.0 3.0
   58    56    69    76   0.15000  1.0 3.0
   58    56    69    89   0.23400  1.0 3.0
   69    76   -81    84   0.09700  1.0 1.0
   69    76   -81    84   0.15600 -1.0 2.0
   69    76   -81    84  -0.50800  1.0 3.0
   69    76    81    86   0.09850  1.0 1.0
   69    76    81    86   0.15250 -1.0 2.0
   69    76    81    86  -0.50650  1.0 3.0
   70    69    76    50   0.15000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    81   0.15000  1.0 3.0
   70    69    89    84   0.08050  1.0 3.0
   76    50   -52    53   0.09850  1.0 1.0
   76    50   -52    53   0.15250 -1.0 2.0
   76    50   -52    53  -0.50650  1.0 3.0
   76    50    52    54   0.46850  1.0 1.0
   76    50    52    54   0.08550 -1.0 2.0
   76    50    52    54   0.09800  1.0 3.0
   76    69   -89    84  -0.25900  1.0 1.0
   76    69   -89    84  -0.47000 -1.0 2.0
   76    69   -89    84   0.11750  1.0 3.0
   76    81    84    85  -0.64400  1.0 1.0
   76    81    84    85   0.26850 -1.0 2.0
   76    81   -84    89  -0.15000  1.0 1.0
   76    81   -84    89   0.89550 -1.0 2.0
   76    81   -84    89  -0.06900  1.0 3.0
   76    81    86    87   7.00000 -1.0 2.0
   76    81    86    88   7.00000 -1.0 2.0
   77    76    81    84   0.15000  1.0 3.0
   77    76    81    86   0.00000  1.0 1.0
   81    84   -89    69   2.00000 -1.0 2.0
   84    81    86    87   7.00000 -1.0 2.0
   84    81    86    88   7.00000 -1.0 2.0
   85    84    89    69   3.00000 -1.0 2.0
   89    69    76    50   0.62750  1.0 1.0
   89    69    76    50  -0.30950 -1.0 2.0
   89    69    76    50   0.27300  1.0 3.0
   89    69    76    77   0.23400  1.0 3.0
   89    69   -76    81   0.61850  1.0 1.0
   89    69   -76    81  -0.22750 -1.0 2.0
   89    69   -76    81   0.15300  1.0 3.0
   86    81    84    85   1.00000 -1.0 2.0
   86    81    84    89  -0.56150  1.0 1.0
   86    81    84    89   2.19150 -1.0 2.0
   59    53    56    57   0.34800  1.0 3.0
   59    53    56    58   0.34800  1.0 3.0
   59    53    56    69   0.46850  1.0 1.0
   59    53    56    69   0.08550 -1.0 2.0
   59    53    56    69   0.09800  1.0 3.0
   60    59    71    72   0.19450  1.0 3.0
   61    59    71    72   0.19450  1.0 3.0
   54    52    53    56   7.00000 -1.0 2.0
   54    52    53    59   7.00000 -1.0 2.0
   54    66    73    74   0.15000  1.0 3.0
   54    66    73    75   0.15000  1.0 3.0
   54    66    73    78   0.56750  1.0 1.0
   54    66    73    78  -0.07550 -1.0 2.0
   54    66    73    78   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    65   0.15000  1.0 3.0
   55    54    66    67   0.15000  1.0 3.0
   55    54    66    68   0.15000  1.0 3.0
   55    54    66    73   0.15000  1.0 3.0
   62    54    66    67   0.15000  1.0 3.0
   62    54    66    68   0.15000  1.0 3.0
   62    54    66    73   0.56750  1.0 1.0
   62    54    66    73  -0.07550 -1.0 2.0
   62    54    66    73   0.20000  1.0 3.0
   66    54    62    63   0.15000  1.0 3.0
   66    54    62    64   0.15000  1.0 3.0
   66    54    62    65   0.15000  1.0 3.0
   66    73    78    79   0.15000  1.0 3.0
   66    73    78    80   0.15000  1.0 3.0
   66    73    78    82   0.86500  1.0 1.0
   66    73    78    82  -0.17500 -1.0 2.0
   66    73    78    82   0.20800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    78   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    78   0.15000  1.0 3.0
   73    78    82    83  -0.11600  1.0 1.0
   73    78    82    83  -0.09450 -1.0 2.0
   73    78    82    83   0.21250  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    82   0.23400  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    80   0.15000  1.0 3.0
   75    73    78    82   0.23400  1.0 3.0
   79    78    82    83   0.19450  1.0 3.0
   80    78    82    83   0.19450  1.0 3.0
   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
   50    54    52    53   1.10000 -1.0 2.0
   56    59    53    52   1.10000 -1.0 2.0
   76    84    81    86   1.10000 -1.0 2.0
   81    89    84    85  10.50000 -1.0 2.0
   87    88    86    81   1.10000 -1.0 2.0
END
