* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    170    247     492
    1     0 S   NP   _N1_     1    31.76346   101.03644   -23.90927
    2     1 S   H    _HN1     2     1.03468   153.69761   -72.25668
    3     1 S   H    _H1_     3     1.02851    45.65603   -65.02570
    4     1 S   H    _H2_     4     1.02753    82.81481   172.09386
    5     1 S   CT   _CA1     5     1.50070    85.48172    60.19383
    6     5 S   HC   _HA1     6     1.09535   104.84196   139.92024
    7     5 S   CO3  _C1_     7     1.53644   113.41834    19.44387
    8     7 S   O2Z  _O11     8     1.26393   115.09997   -31.91758
    9     7 S   O2Z  _O12     9     1.26248   115.00779   147.44474
   10     5 S   CT   _CB1    10     1.53021   107.42691  -101.60973
   11    10 S   HC   HB11    11     1.09512   109.47664   -39.36088
   12    10 S   HC   HB12    12     1.09831   110.51639    76.33567
   13    10 S   CT   _CG1    13     1.53174   112.90721  -161.73143
   14    13 S   HC   HG11    14     1.09533   111.02548   -92.01483
   15    13 S   HC   HG12    15     1.09496   111.10505    27.15315
   16    13 S   C    _CD1    16     1.51565   109.38568   147.79524
   17    16 S   O    _OE1    17     1.22803   121.78784    84.59290
   18    16 S   N    _N2_    18     1.38563   112.60463   -91.82913
   19    18 S   H    _HN2    19     1.01592   119.07211    -5.42141
   20    18 S   CT1  _CA2    20     1.46195   123.55039   171.79481
   21    20 S   HC   _HA2    21     1.09688   109.36216    -8.86656
   22    20 S   C    _C2_    22     1.53890   108.57734  -124.74595
   23    22 S   O    _O2_    23     1.23083   122.09401  -154.98598
   24    20 S   CT   _CB2    32     1.53237   111.79085   113.84353
   25    24 S   HC   HB21    33     1.09400   109.36804    56.62443
   26    24 S   HC   HB22    34     1.09533   110.46086   174.71695
   27    22 S   N    _N3_    24     1.38329   114.09712    31.67453
   28    27 S   H    _HN3    25     1.01418   119.09603    -1.39185
   29    24 S   S    _SG2    35     1.82724   112.74476   -65.49800
   30    27 S   CT   _CA3    26     1.45357   123.42912   178.02424
   31    30 S   HC   HA31    27     1.09541   107.10283   -74.85825
   32    30 S   HC   HA32    28     1.09557   108.40225    41.55734
   33    29 S   CT   _C16    36     1.87877    99.04678   164.25142
   34    33 S   HC   _H3_    37     1.08893   102.47957    24.08586
   35    30 S   CO3  _C3_    29     1.53047   114.45911   163.90589
   36    35 S   O2Z  _O31    30     1.26417   116.38460    -1.46500
   37    35 S   O2Z  _O32    31     1.26407   114.40554   178.67072
   38    33 S   CT   _C14    38     1.57397   111.97332   -91.89809
   39    38 S   HC   _H39    39     1.09333   111.94323  -135.91921
   40    33 S   CT   _C18    69     1.58224   114.11315   137.60021
   41    40 S   OM   _O22    70     1.32592   110.90926   -48.20796
   42    38 S   CM   _C5_    40     1.50094   115.44622    99.74864
   43    40 S   CT   _C23    71     1.54627   111.54669    71.04637
   44    43 S   HC   _H54    72     1.09723   112.38873   -57.56455
   45    43 S   HC   _H55    73     1.09888   111.86495  -177.79070
   46    43 S   HC   _H56    74     1.09506   111.67970    63.03690
   47    42 S   CM   _C4_    41     1.33698   110.53547  -109.59182
   48    42 S   CT   _C15    55     1.51155   119.45789    77.41536
   49    48 S   HC   _H40    56     1.09462   107.38483    30.28330
   50    47 S   CO4  _C6_    42     1.47239   106.37098    -7.38719
   51    50 S   O    _O23    43     1.21880   125.45663  -177.92812
   52    47 S   CT   _C24    45     1.48448   132.58459   177.12308
   53    52 S   HC   _H57    46     1.09605   110.03156   117.67986
   54    52 S   HC   _H58    47     1.09327   111.96158    -4.07424
   55    48 S   CT   _C13    57     1.53769   113.88349   -91.79621
   56    55 S   HC   _H37    58     1.09992   109.67087   -94.05716
   57    55 S   HC   _H38    59     1.09242   111.66294    20.32554
   58    48 S   OS   _O29    86     1.44886   111.05492   147.16308
   59    38 S   OS   _O28    44     1.43574   111.46957   -17.08248
   60    52 S   OS   _O33    48     1.43965   107.75790  -122.48917
   61    55 S   CT   _C17    60     1.55511   114.53846   143.98400
   62    58 S   CO4  _C8_    87     1.36396   117.64001   -81.25637
   63    62 S   O    _O25    88     1.22290   126.43831     0.78882
   64    60 S   CO4  _C10    49     1.36186   115.68692  -173.48284
   65    64 S   O    _O27    50     1.22315   126.18458    -0.83556
   66    61 S   CO4  _C7_    61     1.54948   110.59720   -53.62601
   67    66 S   O    _O24    62     1.23370   121.44047   117.82725
   68    61 S   CT   _C22    75     1.53627   109.94554    69.80024
   69    68 S   HC   _H51    76     1.09571   110.85221    58.40856
   70    68 S   HC   _H52    77     1.09424   112.03892   -63.24469
   71    68 S   HC   _H53    78     1.09492   111.69754   176.91764
   72    61 S   OS   _O30    79     1.45058   104.87210  -173.16149
   73    62 S   CT   _C19    89     1.49815   109.41134  -179.61235
   74    73 S   HC   _H42    90     1.09290   109.79620   -62.17227
   75    73 S   HC   _H43    91     1.09374   109.36485   178.70291
   76    73 S   HC   _H44    92     1.09295   109.82525    59.72344
   77    64 S   CT   _C21    51     1.49823   109.54908  -179.94065
   78    77 S   HC   _H48    52     1.09298   109.94472   -52.81072
   79    77 S   HC   _H49    53     1.09361   109.41847  -171.49726
   80    77 S   HC   _H50    54     1.09233   109.62894    69.00454
   81    66 S   CT   _C11    63     1.52067   118.36455   -61.84096
   82    81 S   HC   _H33    64     1.09703   106.79760  -114.03165
   83    81 S   HC   _H34    65     1.09173   109.32840     0.03956
   84    72 S   CO4  _C9_    80     1.36196   120.96255   173.38328
   85    84 S   O    _O26    81     1.22242   126.79722    -0.53082
   86    81 S   CT   _C12    66     1.54632   111.96533   125.78475
   87    86 S   HC   _H35    67     1.09637   109.98879    -8.05625
   88    86 S   HC   _H36    68     1.10156   107.00215   104.71531
   89    84 S   CT   _C20    82     1.49864   109.30501   179.84549
   90    89 S   HC   _H45    83     1.09293   109.84698   -60.12182
   91    89 S   HC   _H46    84     1.09379   109.36976  -179.11441
   92    89 S   HC   _H47    85     1.09291   109.80393    61.79625
  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  10   5   4   3
  18   8   2   1   1  15   6  14   8  16   7   3   2   1  12  15
   6   6   2   7   3   2  14   6   5   7   1   6  14   5   4   5
   4  13   6   6   3   2   1   7   3   2   1   1   3   2   1   1
   5   4   3   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    59    86    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    50    59    48    81    86    87    88    40    41    43    44    45    46  
   38    39    42    59    86    40    41    43  
   36    37  
   37  
    0  
   39    42    47    50    51    59    52    48    49    55    86    40    41    43    58  
   42    47    50    59    48    40  
   41    43    44    45    46    42    59    66    81    82    83    86    87    88  
   43    44    45    46    81    86    87    88  
   47    50    51    59    52    53    54    60    48    49    55    56    57    61    58    62  
   44    45    46    81    86    87    88  
   45    46    86  
   46    86  
   86  
   50    51    59    52    53    54    60    64    48    49    55    58  
   49    55    56    57    61    66    68    72    58    62    63    73    50    52    59  
   55    56    57    61    58    62  
   51    59    52    53    54    60  
   59    52  
   53    54    60    64    65    77    59  
   54    60    64  
   60    64  
   56    57    61    66    67    81    68    69    70    71    72    84    58    62  
   57    61    66    68    72    58  
   61    66    68    72    58  
   62    63    73    74    75    76    61  
    0  
   64    65    77    78    79    80  
   66    67    81    82    83    86    68    69    70    71    72    84    85    89  
   63    73    74    75    76  
   73    74    75    76  
   65    77    78    79    80  
   77    78    79    80  
   67    81    82    83    86    87    88    68    69    70    71    72    84  
   81    82    83    86    68    72  
   69    70    71    72    84    81  
   70    71    72  
   71    72  
   72  
   84    85    89    90    91    92    81  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    83    86    87    88  
   83    86    87    88  
   86    87    88  
   85    89    90    91    92  
   89    90    91    92  
   87    88  
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.138000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    59   320.000  1.410
   42    47   549.000  1.340
   42    48   317.000  1.510
   47    50   320.000  1.462
   47    52   317.000  1.510
   50    51   570.000  1.229
   50    59   214.000  1.327
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   320.000  1.410
   60    64   214.000  1.327
   64    65   570.000  1.229
   64    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   48    49   340.000  1.090
   48    55   268.000  1.529
   48    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    66   317.000  1.522
   61    68   268.000  1.529
   61    72   320.000  1.410
   66    67   570.000  1.229
   66    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    40   268.000  1.529
   40    41   570.000  1.307
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    84   214.000  1.327
   84    85   570.000  1.229
   84    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   58    62   214.000  1.327
   62    63   570.000  1.229
   62    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    59    50.00000  109.50000
   33    40    86    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    43    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    47    70.00000  124.00000
   38    42    48    65.00000  117.92700
   38    59    50    83.00000  116.90000
   42    38    39    35.00000  109.50000
   42    47    50    65.00000  118.96000
   42    47    52    70.00000  124.00000
   42    48    49    35.00000  109.50000
   42    48    55    70.00000  112.02700
   42    48    58    85.00000  110.90400
   47    50    51    80.00000  123.72100
   47    50    59    90.00000  111.29400
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    60    85.00000  110.90400
   59    38    39    35.00000  109.50000
   59    38    42    85.00000  110.90400
   59    50    51    83.00000  123.40000
   52    47    50    65.00000  116.34900
   52    60    64    83.00000  116.90000
   54    52    53    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    54    35.00000  109.50000
   60    64    65    83.00000  123.40000
   60    64    77    81.00000  111.40000
   64    77    78    35.00000  109.50000
   64    77    79    35.00000  109.50000
   64    77    80    35.00000  109.50000
   77    64    65    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   48    42    47    70.00000  124.00000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    61    58.35000  112.70000
   48    58    62    83.00000  116.90000
   55    48    49    37.50000  110.70000
   55    61    66    63.00000  111.10000
   55    61    68    58.35000  112.70000
   55    61    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    66    67    80.00000  120.40000
   61    66    81    70.00000  116.00000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   61    72    84    83.00000  116.90000
   66    81    82    35.00000  109.50000
   66    81    83    35.00000  109.50000
   66    81    86    63.00000  111.10000
   81    66    67    80.00000  120.40000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    40    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    40    41    50.00000  109.50000
   86    40    43    58.35000  112.70000
   88    86    87    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    86    87    37.50000  110.70000
   40    86    88    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   68    61    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    61    66    90.00000  108.74100
   72    61    68    50.00000  109.50000
   72    84    85    83.00000  123.40000
   72    84    89    81.00000  111.40000
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   89    84    85    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   58    48    49    35.00000  109.50000
   58    48    55    50.00000  109.50000
   58    62    63    83.00000  123.40000
   58    62    73    81.00000  111.40000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   62    73    76    35.00000  109.50000
   73    62    63    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    59   0.56750  1.0 1.0
   29    33    38    59  -0.07550 -1.0 2.0
   29    33    38    59   0.20000  1.0 3.0
   29    33    40    86   0.44750  1.0 1.0
   29    33    40    86  -0.17800 -1.0 2.0
   29    33    40    86   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    47   0.09850  1.0 1.0
   33    38    42    47   0.15250 -1.0 2.0
   33    38    42    47  -0.50650  1.0 3.0
   33    38    42    48   0.46850  1.0 1.0
   33    38    42    48   0.08550 -1.0 2.0
   33    38    42    48   0.09800  1.0 3.0
   33    38    59    50  -0.25900  1.0 1.0
   33    38    59    50  -0.47000 -1.0 2.0
   33    38    59    50   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    59   0.23400  1.0 3.0
   34    33    40    86   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    86   0.56750  1.0 1.0
   38    33    40    86  -0.07550 -1.0 2.0
   38    33    40    86   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    42   -47    50   7.00000 -1.0 2.0
   38    42    47    52   7.00000 -1.0 2.0
   38    42    48    49   0.34800  1.0 3.0
   38    42    48    55   0.46850  1.0 1.0
   38    42    48    55   0.08550 -1.0 2.0
   38    42    48    55   0.09800  1.0 3.0
   38    42    48    58   0.09700  1.0 1.0
   38    42    48    58   0.15600 -1.0 2.0
   38    42    48    58  -0.50800  1.0 3.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    48   0.34800  1.0 3.0
   39    38    59    50   0.08050  1.0 3.0
   42    38   -59    50  -0.82050  1.0 1.0
   42    38   -59    50   0.00600 -1.0 2.0
   42    38   -59    50   0.04400  1.0 3.0
   42    47    50    51   1.00000 -1.0 2.0
   42    47   -50    59  -0.56150  1.0 1.0
   42    47   -50    59   2.19150 -1.0 2.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    54   0.00000  1.0 1.0
   42    47    52    60   0.39000  1.0 1.0
   42    47    52    60  -0.05800 -1.0 2.0
   42    47    52    60  -0.55150  1.0 3.0
   42    48    55    56   0.15000  1.0 3.0
   42    48    55    57   0.15000  1.0 3.0
   42    48    55    61   0.34400  1.0 1.0
   42    48    55    61   0.09450 -1.0 2.0
   42    48    55    61   0.11100  1.0 3.0
   42    48    58    62  -0.82050  1.0 1.0
   42    48    58    62   0.00600 -1.0 2.0
   42    48    58    62   0.04400  1.0 3.0
   47    42    48    49   0.00000  1.0 1.0
   47    42    48    55   0.09850  1.0 1.0
   47    42    48    55   0.15250 -1.0 2.0
   47    42    48    55  -0.50650  1.0 3.0
   47    42    48    58   0.39000  1.0 1.0
   47    42    48    58  -0.05800 -1.0 2.0
   47    42    48    58  -0.55150  1.0 3.0
   47    50   -59    38   2.00000 -1.0 2.0
   47    52    60    64  -0.82050  1.0 1.0
   47    52    60    64   0.00600 -1.0 2.0
   47    52    60    64   0.04400  1.0 3.0
   50    47    52    53   0.15000  1.0 3.0
   50    47    52    54   0.15000  1.0 3.0
   50    47    52    60   0.09700  1.0 1.0
   50    47    52    60   0.15600 -1.0 2.0
   50    47    52    60  -0.50800  1.0 3.0
   51    50    59    38   3.00000 -1.0 2.0
   59    38   -42    47   0.39000  1.0 1.0
   59    38   -42    47  -0.05800 -1.0 2.0
   59    38   -42    47  -0.55150  1.0 3.0
   59    38    42    48   0.09700  1.0 1.0
   59    38    42    48   0.15600 -1.0 2.0
   59    38    42    48  -0.50800  1.0 3.0
   52    47    50    51  -0.64400  1.0 1.0
   52    47    50    51   0.26850 -1.0 2.0
   52    47    50    59  -0.15000  1.0 1.0
   52    47    50    59   0.89550 -1.0 2.0
   52    47    50    59  -0.06900  1.0 3.0
   52    60    64    65   3.00000 -1.0 2.0
   52    60    64    77   1.63150  1.0 1.0
   52    60    64    77   2.92000 -1.0 2.0
   53    52    60    64   0.08050  1.0 3.0
   54    52    60    64   0.08050  1.0 3.0
   60    64    77    78   0.00000  1.0 1.0
   60    64    77    79   0.00000  1.0 1.0
   60    64    77    80   0.00000  1.0 1.0
   65    64    77    78   0.00000  1.0 1.0
   65    64    77    79   0.00000  1.0 1.0
   65    64    77    80   0.00000  1.0 1.0
   48    42    47    50   7.00000 -1.0 2.0
   48    42    47    52   7.00000 -1.0 2.0
   48    55    61    66  -0.95700  1.0 1.0
   48    55    61    66  -0.18200 -1.0 2.0
   48    55    61    66   0.29450  1.0 3.0
   48    55    61    68   0.56750  1.0 1.0
   48    55    61    68  -0.07550 -1.0 2.0
   48    55    61    68   0.20000  1.0 3.0
   48    55    61    72   0.62750  1.0 1.0
   48    55    61    72  -0.30950 -1.0 2.0
   48    55    61    72   0.27300  1.0 3.0
   48    58    62    63   3.00000 -1.0 2.0
   48    58    62    73   1.63150  1.0 1.0
   48    58    62    73   2.92000 -1.0 2.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    61   0.15000  1.0 3.0
   49    48    58    62   0.08050  1.0 3.0
   55    48    58    62  -0.25900  1.0 1.0
   55    48    58    62  -0.47000 -1.0 2.0
   55    48    58    62   0.11750  1.0 3.0
   55    61    66    67   0.30150 -1.0 2.0
   55    61    66    81   0.60050  1.0 1.0
   55    61    66    81   0.05600 -1.0 2.0
   55    61    66    81   0.26150  1.0 3.0
   55    61    68    69   0.15000  1.0 3.0
   55    61    68    70   0.15000  1.0 3.0
   55    61    68    71   0.15000  1.0 3.0
   55    61    72    84  -0.25900  1.0 1.0
   55    61    72    84  -0.47000 -1.0 2.0
   55    61    72    84   0.11750  1.0 3.0
   56    55    61    66  -0.11250  1.0 3.0
   56    55    61    68   0.15000  1.0 3.0
   56    55    61    72   0.23400  1.0 3.0
   57    55    61    66  -0.11250  1.0 3.0
   57    55    61    68   0.15000  1.0 3.0
   57    55    61    72   0.23400  1.0 3.0
   61    66    81    82   0.00000  1.0 1.0
   61    66    81    83   0.00000  1.0 1.0
   61    66    81    86   0.60050  1.0 1.0
   61    66    81    86   0.05600 -1.0 2.0
   61    66    81    86   0.26150  1.0 3.0
   61    72    84    85   3.00000 -1.0 2.0
   61    72    84    89   1.63150  1.0 1.0
   61    72    84    89   2.92000 -1.0 2.0
   66    61    68    69  -0.11250  1.0 3.0
   66    61    68    70  -0.11250  1.0 3.0
   66    61    68    71  -0.11250  1.0 3.0
   66    61    72    84  -1.80650  1.0 1.0
   66    61    72    84   0.63900 -1.0 2.0
   66    61    72    84   0.03650  1.0 3.0
   66    81    86    87  -0.11250  1.0 3.0
   66    81    86    88  -0.11250  1.0 3.0
   66    81    86    40  -0.95700  1.0 1.0
   66    81    86    40  -0.18200 -1.0 2.0
   66    81    86    40   0.29450  1.0 3.0
   67    66    81    82   0.00000  1.0 1.0
   67    66    81    83   0.00000  1.0 1.0
   67    66    81    86   0.30150 -1.0 2.0
   81    86    40    33   0.56750  1.0 1.0
   81    86    40    33  -0.07550 -1.0 2.0
   81    86    40    33   0.20000  1.0 3.0
   81    86    40    41   0.62750  1.0 1.0
   81    86    40    41  -0.30950 -1.0 2.0
   81    86    40    41   0.27300  1.0 3.0
   81    86    40    43   0.56750  1.0 1.0
   81    86    40    43  -0.07550 -1.0 2.0
   81    86    40    43   0.20000  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    40   0.15000  1.0 3.0
   83    81    86    87   0.15000  1.0 3.0
   83    81    86    88   0.15000  1.0 3.0
   83    81    86    40   0.15000  1.0 3.0
   86    40    43    44   0.15000  1.0 3.0
   86    40    43    45   0.15000  1.0 3.0
   86    40    43    46   0.15000  1.0 3.0
   87    86    40    33   0.15000  1.0 3.0
   87    86    40    41   0.23400  1.0 3.0
   87    86    40    43   0.15000  1.0 3.0
   88    86    40    33   0.15000  1.0 3.0
   88    86    40    41   0.23400  1.0 3.0
   88    86    40    43   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    59   0.62750  1.0 1.0
   40    33    38    59  -0.30950 -1.0 2.0
   40    33    38    59   0.27300  1.0 3.0
   41    40    43    44   0.23400  1.0 3.0
   41    40    43    45   0.23400  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   68    61    66    67   0.30150 -1.0 2.0
   68    61    66    81   0.60050  1.0 1.0
   68    61    66    81   0.05600 -1.0 2.0
   68    61    66    81   0.26150  1.0 3.0
   68    61    72    84  -0.25900  1.0 1.0
   68    61    72    84  -0.47000 -1.0 2.0
   68    61    72    84   0.11750  1.0 3.0
   72    61    66    67   0.30150 -1.0 2.0
   72    61    66    81   0.55300  1.0 1.0
   72    61    66    81   1.25850 -1.0 2.0
   72    61    66    81  -0.23600  1.0 3.0
   72    61    68    69   0.23400  1.0 3.0
   72    61    68    70   0.23400  1.0 3.0
   72    61    68    71   0.23400  1.0 3.0
   72    84    89    90   0.00000  1.0 1.0
   72    84    89    91   0.00000  1.0 1.0
   72    84    89    92   0.00000  1.0 1.0
   85    84    89    90   0.00000  1.0 1.0
   85    84    89    91   0.00000  1.0 1.0
   85    84    89    92   0.00000  1.0 1.0
   58    48    55    56   0.23400  1.0 3.0
   58    48    55    57   0.23400  1.0 3.0
   58    48    55    61   0.62750  1.0 1.0
   58    48    55    61  -0.30950 -1.0 2.0
   58    48    55    61   0.27300  1.0 3.0
   58    62    73    74   0.00000  1.0 1.0
   58    62    73    75   0.00000  1.0 1.0
   58    62    73    76   0.00000  1.0 1.0
   63    62    73    74   0.00000  1.0 1.0
   63    62    73    75   0.00000  1.0 1.0
   63    62    73    76   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
   37    30    35    36  10.50000 -1.0 2.0
   38    48    42    47   1.10000 -1.0 2.0
   50    52    47    42   1.10000 -1.0 2.0
   47    59    50    51  10.50000 -1.0 2.0
   60    77    64    65  10.50000 -1.0 2.0
   61    81    66    67  10.50000 -1.0 2.0
   72    89    84    85  10.50000 -1.0 2.0
   58    73    62    63  10.50000 -1.0 2.0
END
