* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    163    237     467
    1     0 S   NP   _N1_     1    29.38670    95.81730   -17.52931
    2     1 S   H    _HN1     2     1.02757    68.77369   -45.55001
    3     1 S   H    _H1_     3     1.02974   107.07647    58.03120
    4     1 S   H    _H2_     4     1.02812    41.58797   154.49583
    5     1 S   CT   _CA1     5     1.50257   139.55895  -145.54835
    6     5 S   HC   _HA1     6     1.09593   105.05041    21.29618
    7     5 S   CO3  _C1_     7     1.53906   112.59676   -98.08240
    8     7 S   O2Z  _O11     8     1.26348   115.06567   -32.66307
    9     7 S   O2Z  _O12     9     1.26283   115.00290   146.12208
   10     5 S   CT   _CB1    10     1.53125   107.17423   138.78528
   11    10 S   HC   HB11    11     1.09794   109.01865   -51.47800
   12    10 S   HC   HB12    12     1.09783   110.30725    64.81415
   13    10 S   CT   _CG1    13     1.52919   112.98005  -173.00235
   14    13 S   HC   HG11    14     1.09476   109.89188   -66.20542
   15    13 S   HC   HG12    15     1.09631   110.34842    52.61774
   16    13 S   C    _CD1    16     1.51903   112.36696   172.25022
   17    16 S   O    _OE1    17     1.22754   123.00455   -25.54492
   18    16 S   N    _N2_    18     1.38484   111.83875   156.72115
   19    18 S   H    _HN2    19     1.01555   118.85042    -1.18630
   20    18 S   CT1  _CA2    20     1.46212   123.89087  -179.30170
   21    20 S   HC   _HA2    21     1.09706   109.39895   -21.65179
   22    20 S   C    _C2_    22     1.53488   107.84757  -137.54085
   23    22 S   O    _O2_    23     1.23010   122.41356  -145.92841
   24    20 S   CT   _CB2    32     1.53467   111.28091   101.21586
   25    24 S   HC   HB21    33     1.09391   108.87246    49.70202
   26    24 S   HC   HB22    34     1.09450   110.38897   168.28188
   27    22 S   N    _N3_    24     1.38545   113.47959    41.37714
   28    27 S   H    _HN3    25     1.01532   118.99177    -0.02798
   29    24 S   S    _SG2    35     1.82886   112.12590   -72.70472
   30    27 S   CT   _CA3    26     1.45387   122.95252   176.42538
   31    30 S   HC   HA31    27     1.09562   108.74378    33.81123
   32    30 S   HC   HA32    28     1.09488   107.26599   150.63449
   33    29 S   CT   _C16    36     1.86997   101.33780   157.93347
   34    30 S   CO3  _C3_    29     1.52892   113.33710   -89.37807
   35    34 S   O2Z  _O31    30     1.26388   115.41648   -46.84316
   36    34 S   O2Z  _O32    31     1.26370   114.95484   134.11932
   37    33 S   CM   _C12    37     1.55555   111.47011   -64.19649
   38    33 S   CT   _C18    88     1.54256   107.18347   172.62996
   39    38 S   HC   _H40    89     1.09787   111.50842   -63.40977
   40    38 S   HC   _H41    90     1.09589   110.93586   178.20834
   41    38 S   HC   _H42    91     1.09415   113.49555    57.50192
   42    37 S   CT   _C15    38     1.55382   116.90523   122.34174
   43    42 S   HC   _H36    39     1.09982   106.00425  -135.28176
   44    37 S   CMA  _C14    75     1.37823   123.49378   -56.97644
   45    44 S   OM   _O24    76     1.26853   126.26141    -3.20039
   46    42 S   CA   _C8_    40     1.53143   112.34236   106.82016
   47    42 S   CM   _C10    53     1.51149   114.92212   -21.13292
   48    44 S   OS   _O29    77     1.41788   112.24723   179.75691
   49    46 S   CA   _C5_    41     1.40461   121.62975   -65.43191
   50    49 S   HA   _H33    42     1.08629   120.57283    -0.28186
   51    47 S   CM   _C11    54     1.34292   122.20576    23.31657
   52    47 S   CO4  _C13    61     1.47965   116.81482  -154.88133
   53    52 S   O    _O26    62     1.22032   124.33960   -67.22291
   54    48 S   CT   _C24    78     1.43760   115.66003  -130.71423
   55    54 S   HC   _H56    79     1.09535   112.29803   -30.76121
   56    49 S   CA   _C4_    43     1.39721   120.88735  -179.95154
   57    56 S   HA   _H32    44     1.08660   119.73464  -179.83214
   58    33 S   NE   _N22    55     1.46153   106.39441    59.63515
   59    58 S   H    _H57    56     1.01606   115.67817    58.11541
   60    51 S   CT   _C17    57     1.50561   124.75256   175.84824
   61    60 S   HC   _H37    58     1.09509   110.08443   111.26510
   62    60 S   HC   _H38    59     1.09358   113.36847    -9.86916
   63    60 S   HC   _H39    60     1.09577   110.16557  -129.41304
   64    52 S   OS   _O28    63     1.35877   108.16164   110.21080
   65    54 S   CT   _C19    80     1.52475   109.23239    91.25029
   66    65 S   HC   _H43    81     1.09561   111.02747    57.68466
   67    65 S   HC   _H44    82     1.09425   111.20478   178.77811
   68    65 S   HC   _H45    83     1.09432   110.71760   -60.56631
   69    54 S   CT   _C20    84     1.52463   107.00985  -149.11308
   70    69 S   HC   _H46    85     1.09576   111.10214   -57.76426
   71    69 S   HC   _H47    86     1.09428   111.31906  -179.14912
   72    69 S   HC   _H48    87     1.09541   110.27109    60.29937
   73    56 S   CA   _C6_    45     1.39322   120.34908     0.15066
   74    73 S   HA   _H34    46     1.08632   118.87053  -179.60584
   75    64 S   CT   _C22    64     1.43730   115.64900  -178.62798
   76    75 S   HC   _H52    65     1.09576   108.94968   -59.28122
   77    75 S   HC   _H53    66     1.09528   108.92323    61.01629
   78    73 S   CA   _C9_    47     1.39659   119.08059     0.18131
   79    75 S   CT   _C23    67     1.52162   108.24240  -179.54372
   80    79 S   HC   _H54    68     1.09600   110.35422   -49.61506
   81    79 S   HC   _H55    69     1.09533   109.75859  -170.70798
   82    46 S   CA   _C7_    48     1.40557   119.72079   115.21084
   83    82 S   HA   _H35    49     1.08764   119.17210     0.10087
   84    78 S   NO2  _N23    50     1.45920   119.46788   179.91153
   85    84 S   ON   _O25    51     1.23871   117.79522   161.07678
   86    84 S   ON   _O27    52     1.23887   117.69521   -18.94715
   87    79 S   OS   _O30    70     1.42872   108.64913    69.99516
   88    87 S   CT   _C21    71     1.42170   111.59961   179.89721
   89    88 S   HC   _H49    72     1.09320   108.36067   178.45199
   90    88 S   HC   _H50    73     1.09390   110.70761    59.37225
   91    88 S   HC   _H51    74     1.09422   110.35217   -62.70967
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  12  13  10
   8   4   9   8   2   9   8   6   3   5   1   3   2   1   1   7
   7   3   2   1   3   2   1   1   7   3   7   5   4   5   7   3
   2   4   1   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    58    59    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    58    59    60    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    82    47    51    58    59    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    58    59  
   40    41    58  
   41    58  
   58  
   43    46    49    50    56    78    82    83    47    51    58    60    52    53    64    44    45    48  
   46    49    82    47    51    52    44  
   45    48    54    55    65    69    46    47    58  
   48    54  
   49    50    56    57    73    78    82    83    84    47    51    52  
   51    58    59    60    61    62    63    52    53    64    75    49    82  
   54    55    65    66    67    68    69    70    71    72  
   50    56    57    73    74    78    82    83  
   56    57    73    82  
   58    59    60    61    62    63    52    53    64  
   53    64    75    76    77    79    58    60  
   64    75  
   55    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   57    73    74    78    82    84  
   73    74    78  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    0  
   75    76    77    79    80    81    87  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    78    82    83    84    85    86  
   78    82    84  
   76    77    79    80    81    87    88  
   77    79    80    81    87  
   79    80    81    87  
   82    83    84    85    86  
   80    81    87    88    89    90    91  
   81    87    88  
   87    88  
   83    84    85    86  
   84  
   85    86  
   86  
    0  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   85   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   86   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    58   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    82   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    82   469.000  1.400
   78    84   400.000  1.460
   82    83   367.000  1.080
   84    85   550.000  1.225
   84    86   550.000  1.225
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    58   425.000  1.378
   51    60   317.000  1.510
   58    59   434.000  1.010
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    53   570.000  1.229
   52    64   214.000  1.327
   64    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    87   320.000  1.410
   87    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    65   268.000  1.529
   54    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    58    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    58    51    50.00000  121.00000
   33    58    59    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    82    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   46    82    78    63.00000  120.00000
   46    82    83    35.00000  120.00000
   49    56    57    35.00000  120.00000
   49    56    73    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    73    74    35.00000  120.00000
   56    73    78    63.00000  120.00000
   73    56    57    35.00000  120.00000
   73    78    82    63.00000  120.00000
   73    78    84    85.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    84    85    80.00000  117.50000
   78    84    86    80.00000  117.50000
   82    46    49    63.00000  120.00000
   84    78    82    85.00000  120.00000
   86    84    85    80.00000  125.30000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    58    70.00000  124.03900
   47    51    60    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    64    90.00000  111.29400
   51    58    59    35.00000  114.50000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   58    33    37    80.00000  112.42400
   60    51    58    75.00000  116.24600
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    64    75    83.00000  116.90000
   64    52    53    83.00000  123.40000
   64    75    76    35.00000  109.50000
   64    75    77    35.00000  109.50000
   64    75    79    50.00000  109.50000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    87    50.00000  109.50000
   77    75    76    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    37.50000  110.70000
   79    87    88    60.00000  109.50000
   81    79    80    33.00000  107.80000
   87    79    80    35.00000  109.50000
   87    79    81    35.00000  109.50000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    65    50.00000  109.50000
   48    54    69    50.00000  109.50000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   54    69    70    37.50000  110.70000
   54    69    71    37.50000  110.70000
   54    69    72    37.50000  110.70000
   65    54    55    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    54    55    37.50000  110.70000
   69    54    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    58    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    58    51  -0.12500  1.0 1.0
   29    33    58    51  -0.12500 -1.0 2.0
   29    33    58    51   0.25000  1.0 3.0
   29    33    58    59  -0.12500  1.0 1.0
   29    33    58    59  -0.12500 -1.0 2.0
   29    33    58    59   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    58    51  -0.12500  1.0 1.0
   37    33    58    51  -0.12500 -1.0 2.0
   37    33    58    51   0.25000  1.0 3.0
   37    33    58    59  -0.12500  1.0 1.0
   37    33    58    59  -0.12500 -1.0 2.0
   37    33    58    59   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    82   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    82    78   3.62500 -1.0 2.0
   42    46    82    83   3.62500 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    64  -0.15000  1.0 1.0
   42    47    52    64   0.89550 -1.0 2.0
   42    47    52    64  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    82   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49    56    73   3.62500 -1.0 2.0
   49    46    82    78   3.62500 -1.0 2.0
   49    46    82    83   3.62500 -1.0 2.0
   49    56    73    74   3.62500 -1.0 2.0
   49    56   -73    78   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    73   3.62500 -1.0 2.0
   56    73    78    82   3.62500 -1.0 2.0
   56    73    78    84   3.62500 -1.0 2.0
   57    56    73    74   3.62500 -1.0 2.0
   57    56    73    78   3.62500 -1.0 2.0
   73    78   -82    46   3.62500 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78    84    85   0.69950 -1.0 2.0
   73    78    84    86   0.69950 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   74    73    78    84   3.62500 -1.0 2.0
   82    46    49    50   3.62500 -1.0 2.0
   82    46   -49    56   3.62500 -1.0 2.0
   82    78    84    85   0.69950 -1.0 2.0
   82    78    84    86   0.69950 -1.0 2.0
   84    78    82    46   3.62500 -1.0 2.0
   84    78    82    83   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    82   0.18050 -1.0 2.0
   47    51   -58    33  -0.54700  1.0 1.0
   47    51   -58    33   1.23000 -1.0 2.0
   47    51    58    59   1.00000 -1.0 2.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.00000  1.0 1.0
   47    51    60    63   0.00000  1.0 1.0
   47    52    64    75   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    64  -0.56150  1.0 1.0
   51    47    52    64   2.19150 -1.0 2.0
   58    33   -37    42   0.09700  1.0 1.0
   58    33   -37    42   0.15600 -1.0 2.0
   58    33   -37    42  -0.50800  1.0 3.0
   58    33    37    44   0.62150  1.0 1.0
   58    33    37    44   0.42850 -1.0 2.0
   58    33    37    44  -0.68200  1.0 3.0
   58    33    38    39   0.22950  1.0 3.0
   58    33    38    40   0.22950  1.0 3.0
   58    33    38    41   0.22950  1.0 3.0
   58    51    60    61  -0.18050  1.0 3.0
   58    51    60    62  -0.18050  1.0 3.0
   58    51    60    63  -0.18050  1.0 3.0
   60    51    58    33   1.00000 -1.0 2.0
   60    51    58    59   2.40850 -1.0 2.0
   52    47    51    58   7.00000 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    64    75    76   0.08050  1.0 3.0
   52    64    75    77   0.08050  1.0 3.0
   52    64    75    79  -0.25900  1.0 1.0
   52    64    75    79  -0.47000 -1.0 2.0
   52    64    75    79   0.11750  1.0 3.0
   53    52    64    75   3.00000 -1.0 2.0
   64    75    79    80   0.23400  1.0 3.0
   64    75    79    81   0.23400  1.0 3.0
   64    75    79    87   1.11900  1.0 1.0
   64    75    79    87  -1.16350 -1.0 2.0
   64    75    79    87  -0.34150  1.0 3.0
   75    79    87    88   0.06250  1.0 1.0
   75    79    87    88  -0.01100 -1.0 2.0
   75    79    87    88   0.28050  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    87   0.23400  1.0 3.0
   77    75    79    80   0.15000  1.0 3.0
   77    75    79    81   0.15000  1.0 3.0
   77    75    79    87   0.23400  1.0 3.0
   79    87    88    89   0.37050  1.0 3.0
   79    87    88    90   0.37050  1.0 3.0
   79    87    88    91   0.37050  1.0 3.0
   80    79    87    88   0.37050  1.0 3.0
   81    79    87    88   0.37050  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    65  -0.46850  1.0 1.0
   44    48    54    65   0.09300 -1.0 2.0
   44    48    54    65  -0.12850  1.0 3.0
   44    48    54    69  -0.46850  1.0 1.0
   44    48    54    69   0.09300 -1.0 2.0
   44    48    54    69  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    65    66   0.23400  1.0 3.0
   48    54    65    67   0.23400  1.0 3.0
   48    54    65    68   0.23400  1.0 3.0
   48    54    69    70   0.23400  1.0 3.0
   48    54    69    71   0.23400  1.0 3.0
   48    54    69    72   0.23400  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   55    54    69    71   0.15000  1.0 3.0
   55    54    69    72   0.15000  1.0 3.0
   65    54    69    70   0.15000  1.0 3.0
   65    54    69    71   0.15000  1.0 3.0
   65    54    69    72   0.15000  1.0 3.0
   69    54    65    66   0.15000  1.0 3.0
   69    54    65    67   0.15000  1.0 3.0
   69    54    65    68   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    58    51   0.25450  1.0 1.0
   38    33    58    51  -0.61700 -1.0 2.0
   38    33    58    51  -0.23550  1.0 3.0
   38    33    58    59   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    82    46    42   4.00000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   73    57    56    49   1.10000 -1.0 2.0
   78    74    73    56   1.10000 -1.0 2.0
   82    84    78    73   4.00000 -1.0 2.0
   78    83    82    46   1.10000 -1.0 2.0
   86    78    84    85  10.50000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   60    58    51    47   1.10000 -1.0 2.0
   59    51    58    33   1.00000 -1.0 2.0
   47    64    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
