* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    170    255     490
    1     0 S   NP   _N1_     1    28.91360    91.41633   -21.23971
    2     1 S   H    _HN1     2     1.02969    99.62866    35.64868
    3     1 S   H    _H1_     3     1.02820    15.02948   156.52408
    4     1 S   H    _H2_     4     1.02770    98.85660   -74.83635
    5     1 S   CT   _CA1     5     1.50178   125.74643   159.36885
    6     5 S   HC   _HA1     6     1.09573   105.18858    58.49823
    7     5 S   CO3  _C1_     7     1.53822   112.48520   -61.56090
    8     7 S   O2Z  _O11     8     1.26367   115.01643   -37.89478
    9     7 S   O2Z  _O12     9     1.26250   114.99502   141.17479
   10     5 S   CT   _CB1    10     1.53063   107.30623   176.43608
   11    10 S   HC   HB11    11     1.09823   109.29476   -49.50329
   12    10 S   HC   HB12    12     1.09796   110.33687    66.97514
   13    10 S   CT   _CG1    13     1.52983   112.83403  -170.64533
   14    13 S   HC   HG11    14     1.09551   110.45896   -63.76321
   15    13 S   HC   HG12    15     1.09650   110.06307    55.43361
   16    13 S   C    _CD1    16     1.51810   112.22474   175.48698
   17    16 S   O    _OE1    17     1.22738   123.26629    -7.51891
   18    16 S   N    _N2_    18     1.38657   111.71218   173.26399
   19    18 S   H    _HN2    19     1.01590   119.05205     0.76105
   20    18 S   CT1  _CA2    20     1.46163   123.22318   178.65564
   21    20 S   HC   _HA2    21     1.09750   109.25858    -7.68419
   22    20 S   C    _C2_    22     1.53424   108.44489  -123.08121
   23    22 S   O    _O2_    23     1.23037   122.37233  -147.91035
   24    20 S   CT   _CB2    32     1.53437   111.91651   114.23797
   25    24 S   HC   HB21    33     1.09503   110.10069    57.57583
   26    24 S   HC   HB22    34     1.09508   109.78143   176.54271
   27    22 S   N    _N3_    24     1.38370   113.51024    39.58354
   28    27 S   H    _HN3    25     1.01639   119.50510    -3.70248
   29    24 S   S    _SG2    35     1.82680   111.47912   -63.41221
   30    27 S   CT   _CA3    26     1.45287   123.10261   176.92413
   31    30 S   HC   HA31    27     1.09557   107.54310   -63.23899
   32    30 S   HC   HA32    28     1.09562   107.91912    53.15407
   33    29 S   CT   _C26    36     1.84347   100.23428  -166.43293
   34    33 S   HC   _H3_    37     1.09616   107.80524    43.27695
   35    30 S   CO3  _C3_    29     1.52931   114.16183   175.12010
   36    35 S   O2Z  _O31    30     1.26360   116.06624    -0.87626
   37    35 S   O2Z  _O32    31     1.26434   114.40793   179.17789
   38    33 S   CT   _C22    38     1.52881   108.85567   -75.18540
   39    38 S   HC   _H49    39     1.09590   111.59374   -64.93105
   40    38 S   HC   _H50    40     1.09480   110.89003   174.98718
   41    38 S   HC   _H51    41     1.09458   112.00424    56.57590
   42    33 S   CT   _C25    42     1.54769   108.96287   161.74396
   43    42 S   HC   _H58    43     1.09821   108.97717    56.90036
   44    42 S   CO4  _C16    44     1.52260   111.16435   -62.83372
   45    44 S   O    _O27    45     1.22376   124.37228   -46.62032
   46    42 S   CT   _C21    90     1.53014   113.32979   176.88429
   47    46 S   HC   _H46    91     1.09562   111.22209    52.69733
   48    46 S   HC   _H47    92     1.09412   111.36357   -68.33673
   49    46 S   HC   _H48    93     1.09617   110.95017   172.20406
   50    44 S   OS   _O33    46     1.36324   109.46251   134.94610
   51    50 S   CT   _C17    47     1.43275   117.72677   176.58230
   52    51 S   HC   _H38    48     1.09517   113.10711    20.16413
   53    51 S   CA   _C7_    49     1.48489   107.61579  -106.46348
   54    53 S   CA   _C8_    50     1.38545   109.47271   -99.38760
   55    54 S   CA   _C5_    51     1.38262   122.20508   176.28522
   56    55 S   HA   _H34    52     1.08448   121.18054  -179.45356
   57    54 S   OS   _O29    64     1.37101   113.40981    -2.54106
   58    55 S   CA   _C4_    53     1.39867   118.07884     0.75407
   59    58 S   HA   _H33    54     1.08767   118.98973   179.76097
   60    51 S   CT   _C18    65     1.55323   112.47895   146.20171
   61    60 S   HC   _H39    66     1.10197   107.98071  -160.34785
   62    58 S   CA   _C6_    55     1.40629   120.52202    -0.52860
   63    60 S   CT   _C27    67     1.55568   117.69390   -37.41069
   64    53 S   CA   _C9_    56     1.38167   130.79828    76.78403
   65    63 S   CT   _C23    68     1.53425   109.52921   -59.58471
   66    65 S   HC   _H52    69     1.09428   111.71723  -175.60257
   67    65 S   HC   _H53    70     1.09351   111.43276    65.57025
   68    65 S   HC   _H54    71     1.09524   111.21665   -55.50986
   69    63 S   CT   _C24    72     1.53856   109.11393   179.17078
   70    69 S   HC   _H55    73     1.09454   111.76927   172.78365
   71    69 S   HC   _H56    74     1.09553   111.22858   -68.45480
   72    69 S   HC   _H57    75     1.09528   111.30373    52.92678
   73    63 S   OS   _O30    76     1.45448   106.81753    60.59863
   74    64 S   OS   _O28    57     1.40381   118.98685     3.33718
   75    73 S   CO4  _C15    77     1.35640   122.83636   178.91809
   76    75 S   O    _O26    78     1.21997   127.15514    -0.63766
   77    74 S   CO4  _C12    58     1.39009   121.40837  -179.32189
   78    77 S   O    _O25    59     1.22602   122.07623   179.49526
   79    75 S   CM   _C14    79     1.49020   108.18276  -179.42427
   80    77 S   CM   _C11    60     1.47460   116.86701    -0.58148
   81    80 S   HC   _H36    61     1.08433   117.07611  -179.55633
   82    79 S   CM   _C13    80     1.34537   121.33590  -145.35407
   83    82 S   HC   _H37    81     1.08947   117.62340  -177.93181
   84    79 S   CT   _C20    86     1.50297   117.06365    36.81067
   85    84 S   HC   _H43    87     1.09493   110.72915   -71.09737
   86    84 S   HC   _H44    88     1.09523   110.45069    49.24864
   87    84 S   HC   _H45    89     1.09527   112.02042   168.81688
   88    62 S   CM   _C10    62     1.45386   121.88369  -179.49101
   89    88 S   HC   _H35    63     1.08441   119.08872    -0.97959
   90    82 S   CT   _C19    82     1.49488   128.89466     3.56985
   91    90 S   HC   _H40    83     1.09359   109.90263  -110.60472
   92    90 S   HC   _H41    84     1.09505   109.38761   131.00772
   93    90 S   HC   _H42    85     1.09087   113.63324    11.50384
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  14   7  13  11   8   4   8   7   3  13   4   7  12   6
   9   4   3   2   5   3   2   1   5   5   9   3   5   3  10   3
   2   9   5   4   2   1   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    60    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    64    57    60    61    63  
   52    53    54    55    62    64    74    57    60    61    63    65    69    73  
   53    54    64    57    60    61    63  
   54    55    56    58    62    64    74    77    88    57    60    61    63  
   55    56    58    59    62    64    74    57    60    61    63  
   56    58    59    62    64    88    57    60  
   58    59    62    57  
   60    61    63    65    69    73    58    64  
   59    62    64    74    80    88    89  
   62    64    88  
   61    63    65    66    67    68    69    70    71    72    73    75    64  
   63    65    69    73  
   64    74    77    80    81    88    89  
   65    66    67    68    69    70    71    72    73    75    76    79  
   74    77    78    80    88    89  
   66    67    68    69    70    71    72    73    75  
   67    68    69    73  
   68    69    73  
   69    73  
   70    71    72    73    75  
   71    72    73  
   72    73  
   73  
   75    76    79    82    84  
   77    78    80    81    88  
   76    79    82    83    90    84    85    86    87  
   79    82    84  
   78    80    81    88    89  
   80    81    88  
   82    83    90    91    92    93    84    85    86    87  
   81    88    89  
   88    89  
   83    90    91    92    93    84    85    86    87  
   90    91    92    93    84  
   85    86    87    90  
   86    87  
   87  
    0  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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  -0.180000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    60   268.000  1.529
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    88   320.000  1.460
   64    74   450.000  1.364
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    80   320.000  1.462
   80    81   340.000  1.080
   80    88   549.000  1.340
   88    89   340.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    63   268.000  1.529
   63    65   268.000  1.529
   63    69   268.000  1.529
   63    73   320.000  1.410
   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
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   320.000  1.462
   79    82   549.000  1.340
   79    84   317.000  1.510
   82    83   340.000  1.080
   82    90   317.000  1.510
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    60    50.00000  109.50000
   51    53    54    70.00000  120.00000
   51    53    64    70.00000  120.00000
   51    60    57    50.00000  109.50000
   51    60    61    37.50000  110.70000
   51    60    63    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    64    62    63.00000  120.00000
   53    64    74    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   55    58    62    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    88    60.00000  120.93500
   62    58    59    35.00000  120.00000
   62    64    74    70.00000  120.00000
   62    88    80    60.00000  123.20500
   62    88    89    40.00000  117.26300
   64    53    54    63.00000  120.00000
   64    74    77    85.00000  115.98000
   74    77    78    83.00000  123.40000
   74    77    80    90.00000  111.29400
   77    80    81    40.00000  117.72500
   77    80    88    65.00000  118.96000
   80    77    78    80.00000  123.72100
   80    88    89    35.00000  120.00000
   88    62    64    60.00000  120.93500
   88    80    81    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    50.00000  109.50000
   60    51    52    37.50000  110.70000
   60    51    53    70.00000  112.17500
   60    63    65    58.35000  112.70000
   60    63    69    58.35000  112.70000
   60    63    73    50.00000  109.50000
   63    60    61    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   63    73    75    83.00000  116.90000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    63    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
   73    63    65    50.00000  109.50000
   73    63    69    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    90.00000  111.29400
   75    79    82    65.00000  118.96000
   75    79    84    65.00000  116.34900
   79    75    76    80.00000  123.72100
   79    82    83    35.00000  120.00000
   79    82    90    70.00000  124.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   82    90    91    35.00000  109.50000
   82    90    92    35.00000  109.50000
   82    90    93    35.00000  109.50000
   90    82    83    35.00000  117.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   84    79    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    60  -0.25900  1.0 1.0
   44    50    51    60  -0.47000 -1.0 2.0
   44    50    51    60   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.64500  1.0 1.0
   50    51    53    54   0.14800 -1.0 2.0
   50    51    53    54   0.20650  1.0 3.0
   50    51    53    64   0.64500  1.0 1.0
   50    51    53    64   0.14800 -1.0 2.0
   50    51    53    64   0.20650  1.0 3.0
   50    51    60    57   1.11900  1.0 1.0
   50    51    60    57  -1.16350 -1.0 2.0
   50    51    60    57  -0.34150  1.0 3.0
   50    51    60    61   0.23400  1.0 3.0
   50    51    60    63   0.62750  1.0 1.0
   50    51    60    63  -0.30950 -1.0 2.0
   50    51    60    63   0.27300  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53   -54    57   3.62500 -1.0 2.0
   51    53    64    62   3.62500 -1.0 2.0
   51    53    64    74   3.62500 -1.0 2.0
   51    60    63    65   0.56750  1.0 1.0
   51    60    63    65  -0.07550 -1.0 2.0
   51    60    63    65   0.20000  1.0 3.0
   51    60    63    69   0.56750  1.0 1.0
   51    60    63    69  -0.07550 -1.0 2.0
   51    60    63    69   0.20000  1.0 3.0
   51    60    63    73   0.62750  1.0 1.0
   51    60    63    73  -0.30950 -1.0 2.0
   51    60    63    73   0.27300  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    64   0.00000  1.0 1.0
   52    51    60    57   0.23400  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   53    51   -60    57  -0.64350  1.0 1.0
   53    51   -60    57  -0.04200 -1.0 2.0
   53    51   -60    57   0.19800  1.0 3.0
   53    51    60    61   0.43200  1.0 3.0
   53    51    60    63  -0.03700  1.0 1.0
   53    51    60    63   0.37200 -1.0 2.0
   53    51    60    63  -0.47300  1.0 3.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54   -57    60   1.63200 -1.0 2.0
   53    64    74    77   0.01300  1.0 1.0
   53    64    74    77   0.97950 -1.0 2.0
   53    64    74    77  -0.55700  1.0 3.0
   54    53    64    62   3.62500 -1.0 2.0
   54    53    64    74   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    62   3.62500 -1.0 2.0
   54    57   -60    51  -0.32850  1.0 1.0
   54    57   -60    51  -0.35800 -1.0 2.0
   54    57   -60    51   0.33950  1.0 3.0
   54    57    60    61   0.08050  1.0 3.0
   54    57    60    63  -0.32850  1.0 1.0
   54    57    60    63  -0.35800 -1.0 2.0
   54    57    60    63   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   55    58    62    64   3.62500 -1.0 2.0
   55    58    62    88   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62   -64    53   3.62500 -1.0 2.0
   58    62    64    74   3.62500 -1.0 2.0
   58    62    88    80   0.15800  1.0 1.0
   58    62    88    80   1.85350 -1.0 2.0
   58    62    88    80  -0.48700  1.0 3.0
   58    62    88    89   0.56550  1.0 3.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    88   3.62500 -1.0 2.0
   62    64    74    77   0.01300  1.0 1.0
   62    64    74    77   0.97950 -1.0 2.0
   62    64    74    77  -0.55700  1.0 3.0
   64    53   -54    55   3.62500 -1.0 2.0
   64    53    54    57   3.62500 -1.0 2.0
   64    62    88    80   0.15800  1.0 1.0
   64    62    88    80   1.85350 -1.0 2.0
   64    62    88    80  -0.48700  1.0 3.0
   64    62    88    89   0.56550  1.0 3.0
   64    74    77    78   3.00000 -1.0 2.0
   64    74   -77    80   2.00000 -1.0 2.0
   74    77    80    81   1.63100 -1.0 2.0
   74    77    80    88  -0.56150  1.0 1.0
   74    77    80    88   2.19150 -1.0 2.0
   77    80   -88    62   7.00000 -1.0 2.0
   77    80    88    89   7.00000 -1.0 2.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    88   1.00000 -1.0 2.0
   81    80    88    62   7.00000 -1.0 2.0
   81    80    88    89   7.00000 -1.0 2.0
   88    62    64    53   3.62500 -1.0 2.0
   88    62   -64    74   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60    63    65   0.62750  1.0 1.0
   57    60    63    65  -0.30950 -1.0 2.0
   57    60    63    65   0.27300  1.0 3.0
   57    60    63    69   0.62750  1.0 1.0
   57    60    63    69  -0.30950 -1.0 2.0
   57    60    63    69   0.27300  1.0 3.0
   57    60    63    73   1.11900  1.0 1.0
   57    60    63    73  -1.16350 -1.0 2.0
   57    60    63    73  -0.34150  1.0 3.0
   60    51   -53    54   0.04150 -1.0 2.0
   60    51    53    64   0.04150 -1.0 2.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    65    68   0.15000  1.0 3.0
   60    63    69    70   0.15000  1.0 3.0
   60    63    69    71   0.15000  1.0 3.0
   60    63    69    72   0.15000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    69   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    79   2.00000 -1.0 2.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  1.0 3.0
   65    63    73    75  -0.25900  1.0 1.0
   65    63    73    75  -0.47000 -1.0 2.0
   65    63    73    75   0.11750  1.0 3.0
   69    63    65    66   0.15000  1.0 3.0
   69    63    65    67   0.15000  1.0 3.0
   69    63    65    68   0.15000  1.0 3.0
   69    63    73    75  -0.25900  1.0 1.0
   69    63    73    75  -0.47000 -1.0 2.0
   69    63    73    75   0.11750  1.0 3.0
   73    63    65    66   0.23400  1.0 3.0
   73    63    65    67   0.23400  1.0 3.0
   73    63    65    68   0.23400  1.0 3.0
   73    63    69    70   0.23400  1.0 3.0
   73    63    69    71   0.23400  1.0 3.0
   73    63    69    72   0.23400  1.0 3.0
   73    75    79    82  -0.56150  1.0 1.0
   73    75    79    82   2.19150 -1.0 2.0
   73    75    79    84  -0.15000  1.0 1.0
   73    75    79    84   0.89550 -1.0 2.0
   73    75    79    84  -0.06900  1.0 3.0
   75    79    82    83   7.00000 -1.0 2.0
   75    79    82    90   7.00000 -1.0 2.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87   0.15000  1.0 3.0
   76    75    79    82   1.00000 -1.0 2.0
   76    75    79    84  -0.64400  1.0 1.0
   76    75    79    84   0.26850 -1.0 2.0
   79    82    90    91   0.00000  1.0 1.0
   79    82    90    92   0.00000  1.0 1.0
   79    82    90    93   0.00000  1.0 1.0
   82    79    84    85   0.00000  1.0 1.0
   82    79    84    86   0.00000  1.0 1.0
   82    79    84    87   0.00000  1.0 1.0
   83    82    90    91   0.33100  1.0 3.0
   83    82    90    92   0.33100  1.0 3.0
   83    82    90    93   0.33100  1.0 3.0
   84    79    82    83   7.00000 -1.0 2.0
   84    79    82    90   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
   54    64    53    51   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    88    62    58   4.00000 -1.0 2.0
   62    74    64    53   4.00000 -1.0 2.0
   74    80    77    78  10.50000 -1.0 2.0
   77    81    80    88   1.10000 -1.0 2.0
   62    89    88    80   1.10000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
   75    84    79    82  15.00000 -1.0 2.0
   90    83    82    79  15.00000 -1.0 2.0
END
