* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    163    265     480
    1     0 S   NP   _N1_     1    28.80398    95.88594   -18.56279
    2     1 S   H    _HN1     2     1.02960    92.40217    32.88148
    3     1 S   H    _H1_     3     1.02839    47.02908   144.11128
    4     1 S   H    _H2_     4     1.02780    70.81470   -75.67869
    5     1 S   CT   _CA1     5     1.50091   153.44735  -177.19977
    6     5 S   HC   _HA1     6     1.09576   105.26714    29.85195
    7     5 S   CO3  _C1_     7     1.53810   112.36873   -90.39036
    8     7 S   O2Z  _O11     8     1.26353   115.01730   -45.47186
    9     7 S   O2Z  _O12     9     1.26241   114.90930   133.81444
   10     5 S   CT   _CB1    10     1.53106   107.44362   147.73536
   11    10 S   HC   HB11    11     1.09816   109.41345   -51.39109
   12    10 S   HC   HB12    12     1.09823   110.39388    65.19953
   13    10 S   CT   _CG1    13     1.52961   112.57493  -172.54260
   14    13 S   HC   HG11    14     1.09552   110.19151   -61.93155
   15    13 S   HC   HG12    15     1.09633   110.13816    57.22255
   16    13 S   C    _CD1    16     1.51784   112.39237   177.72007
   17    16 S   O    _OE1    17     1.22712   123.24735    -6.84536
   18    16 S   N    _N2_    18     1.38573   111.55793   173.42103
   19    18 S   H    _HN2    19     1.01480   119.01935     2.25316
   20    18 S   CT1  _CA2    20     1.46069   123.62828  -177.62134
   21    20 S   HC   _HA2    21     1.09736   109.26592   -16.37879
   22    20 S   C    _C2_    22     1.53458   108.00016  -132.06414
   23    22 S   O    _O2_    23     1.22999   122.44149  -144.56451
   24    20 S   CT   _CB2    32     1.53544   111.76771   105.85110
   25    24 S   HC   HB21    33     1.09425   110.02450    56.50396
   26    24 S   HC   HB22    34     1.09314   108.95508   175.40778
   27    22 S   N    _N3_    24     1.38567   113.25128    42.62604
   28    27 S   H    _HN3    25     1.01526   118.92098    -0.31027
   29    24 S   S    _SG2    35     1.82694   111.79528   -65.40139
   30    27 S   CT   _CA3    26     1.45429   123.33464   175.31734
   31    30 S   HC   HA31    27     1.09530   109.14660    26.39331
   32    30 S   HC   HA32    28     1.09494   107.15050   143.37059
   33    29 S   CT   _C22    36     1.86220   101.73253   172.64225
   34    30 S   CO3  _C3_    29     1.52919   113.14798   -97.02406
   35    34 S   O2Z  _O31    30     1.26402   115.40905   -44.81860
   36    34 S   O2Z  _O32    31     1.26359   114.98382   136.14767
   37    33 S   CM   _C16    37     1.55974   109.78262    53.76703
   38    33 S   CO4  _C18    84     1.53987   106.29851   167.65921
   39    38 S   O    _O27    85     1.22622   126.25749   112.63005
   40    37 S   CA   _C11    38     1.51601   113.61739  -108.36559
   41    37 S   CMA  _C17    73     1.37208   124.62446    83.80744
   42    41 S   OM   _O26    74     1.26938   128.15513   170.17807
   43    40 S   CA   _C12    39     1.41856   116.26219   -40.52793
   44    41 S   CA   _C9_    75     1.51458   113.79889    -6.46451
   45    43 S   CA   _C7_    40     1.39921   120.85735  -176.27990
   46    45 S   HA   _H36    41     1.08718   120.15980   179.53945
   47    43 S   CO   _C20    52     1.50952   115.79673     7.51862
   48    47 S   HC   _H38    53     1.09894   108.68500   -74.68321
   49    44 S   CA   _C5_    76     1.40970   121.27776  -155.15033
   50    49 S   HA   _H34    77     1.08832   120.67441     4.42443
   51    45 S   CA   _C13    42     1.39866   120.17519    -1.97209
   52    33 S   NT   _N25    54     1.47488   112.22050   -70.81655
   53    49 S   CA   _C4_    78     1.39840   121.38010  -175.18969
   54    53 S   HA   _H33    79     1.08634   119.80511   179.91153
   55    51 S   CA   _C8_    43     1.40046   119.24847    -2.37586
   56    55 S   HA   _H37    44     1.08757   119.45824  -176.38908
   57    51 S   CT   _C23    48     1.49957   120.30934  -178.14797
   58    57 S   HC   _H40    49     1.09434   110.01788    87.93049
   59    57 S   HC   _H41    50     1.09510   110.89227  -151.55378
   60    57 S   HC   _H42    51     1.09511   110.89290   -32.57540
   61    52 S   CT1  _C21    55     1.45353   125.79533   -64.32364
   62    61 S   HC   _H39    56     1.09220   112.65215   -30.76008
   63    53 S   CA   _C6_    80     1.39128   120.18044     0.51396
   64    63 S   HA   _H35    81     1.08625   119.85746   179.57942
   65    40 S   CA   _C15    45     1.40062   125.68910   137.33093
   66    61 S   CO4  _C19    57     1.53021   102.34920  -145.46055
   67    66 S   O    _O28    58     1.22188   126.03137   178.34105
   68    61 S   CTE  _C27    60     1.55705   113.26080    95.66059
   69    68 S   HC   _H51    61     1.09501   108.01989   -57.05808
   70    63 S   CA   _C14    82     1.39087   119.57289    -0.80746
   71    65 S   OH   _O33    46     1.36929   120.14518    -5.79684
   72    71 S   HO   _H53    47     0.97119   109.19394   178.63413
   73    47 S   OS   _O29    59     1.41528   115.43352   166.58514
   74    68 S   CT   _C25    62     1.53595   110.69586  -172.00834
   75    74 S   HC   _H46    63     1.09381   111.99079   -74.39542
   76    74 S   HC   _H47    64     1.09463   110.82637   165.43720
   77    74 S   HC   _H48    65     1.09516   110.97846    46.84589
   78    68 S   CT   _C26    66     1.54797   113.12694    61.68872
   79    78 S   HC   _H49    67     1.09604   110.47787    60.54855
   80    78 S   HC   _H50    68     1.09576   109.48715   -56.63866
   81    44 S   CA   _C10    83     1.40181   121.35574    29.07363
   82    70 S   OH   _O30    86     1.36780   116.80355  -179.13069
   83    82 S   HO   _H52    87     0.97372   108.73049  -174.04905
   84    78 S   CT   _C24    69     1.52276   114.08938  -177.78036
   85    84 S   HC   _H43    70     1.09187   111.36314    53.44269
   86    84 S   HC   _H44    71     1.09401   111.48350   -67.86415
   87    84 S   HC   _H45    72     1.09486   109.96567   173.10613
  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
  19   2   1   1  16  12   4  16  10   3  13   8  13   4  10   4
   7   4   8  10   6   3   8   3   4   2   1   1  14   7   5   3
   2   6   2  13   8   3   1   1   1   7   3   2   1   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    61    41    81    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    65    47    48    52    61    62    66    73    68    41    42    44    70    81    38    39  
   35    36  
   36  
    0  
   40    43    45    55    65    71    47    52    61    41    42    44    49    81    38    39  
   39    82    40    41    44    47    49    52    61    63    70    81  
   44    52    70    81  
   43    45    46    51    55    56    65    71    72    47    48    52    73    41    42    44  
   42    44    49    50    53    70    81    43    52    65  
   44    49    81  
   45    46    51    55    65    71    57    47    48    52    61    66    73  
   49    50    53    54    63    70    81    82  
   46    51    55    56    65    57    58    59    60    47    48    52    73  
   51    55    57    47  
   48    52    61    62    66    67    73    68    51    65  
   52    61    66    73  
   50    53    54    63    64    70    81  
   53    54    63    81  
   55    56    65    71    57    58    59    60  
   61    62    66    67    73    68    69    74    78    81  
   54    63    64    70    81    82  
   63    64    70  
   56    65    71    72    57    58    59    60  
   65    71    57  
   58    59    60    65  
   59    60  
   60  
    0  
   62    66    67    73    68    69    74    75    76    77    78    79    80    84  
   66    67    73    68    69    74    78  
   64    70    81    82    83  
   70    81    82  
   71    72  
   67    73    68    69    74    78  
   73    68  
   69    74    75    76    77    78    79    80    84    85    86    87    73  
   74    75    76    77    78    79    80    84  
   81    82    83  
   72  
    0  
    0  
   75    76    77    78    79    80    84  
   76    77    78  
   77    78  
   78  
   79    80    84    85    86    87  
   80    84    85    86    87  
   84    85    86    87  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   0.377500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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    52   382.000  1.448
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   270.000  1.504
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    55   469.000  1.400
   51    57   317.000  1.510
   55    56   367.000  1.080
   55    65   469.000  1.400
   65    71   450.000  1.364
   71    72   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    48   340.000  1.090
   47    52   340.000  1.430
   47    73   320.000  1.380
   52    61   305.000  1.457
   61    62   340.000  1.090
   61    66   255.000  1.522
   61    68   268.000  1.529
   66    67   570.000  1.229
   66    73   214.000  1.327
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    49   469.000  1.400
   44    81   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    81   469.000  1.400
   70    82   450.000  1.364
   81    38   310.000  1.470
   38    39   570.000  1.229
   82    83   553.000  0.945
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    52    85.00000  109.00000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    52    47    80.00000  111.82000
   33    52    61    51.80000  107.20000
   33    38    81    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    43    60.00000  120.93500
   37    40    65    60.00000  120.93500
   37    41    42    65.00000  137.10300
   37    41    44    60.00000  123.20500
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  120.68000
   40    65    55    63.00000  120.00000
   40    65    71    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    51    63.00000  120.00000
   43    47    48    45.00000  112.15300
   43    47    52    75.00000  112.33000
   43    47    73    90.00000  107.97000
   45    51    55    63.00000  120.00000
   45    51    57    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    65    63.00000  120.00000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    65    71    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    55    56    35.00000  120.00000
   65    71    72    35.00000  113.00000
   57    51    55    70.00000  120.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    43    45    60.00000  120.68000
   47    52    61    80.00000  111.82000
   47    73    66    95.00000  111.08000
   52    33    37    75.00000  110.70900
   52    47    48    50.00000  110.45300
   52    61    62    50.00000  109.55000
   52    61    66    75.00000  112.91400
   52    61    68    75.00000  111.58000
   61    66    67    75.00000  123.42600
   61    66    73    90.00000  109.72300
   61    68    69    37.50000  110.70000
   61    68    74    58.35000  112.70000
   61    68    78    58.35000  112.70000
   66    61    62    45.00000  110.09800
   73    47    48    35.00000  109.50000
   73    47    52   100.00000  112.06800
   73    66    67    83.00000  123.40000
   68    61    62    37.50000  110.70000
   68    61    66    63.00000  111.10000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    80    37.50000  110.70000
   68    78    84    58.35000  112.70000
   74    68    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    74    58.35000  112.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   41    37    40    60.00000  123.20500
   41    44    49    60.00000  120.93500
   41    44    81    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    49    50    35.00000  120.00000
   44    49    53    63.00000  120.00000
   44    81    70    63.00000  120.00000
   44    81    38    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    63    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    63    64    35.00000  120.00000
   53    63    70    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    81    63.00000  120.00000
   63    70    82    70.00000  120.00000
   70    63    64    35.00000  120.00000
   70    81    38    60.00000  119.52600
   70    82    83    35.00000  113.00000
   81    44    49    63.00000  120.00000
   81    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    52    75.00000  112.82000
   82    70    81    70.00000  120.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    47   0.23200  1.0 1.0
   29    33    52    47   0.02100 -1.0 2.0
   29    33    52    47   0.24950  1.0 3.0
   29    33    52    61   0.23200  1.0 1.0
   29    33    52    61   0.02100 -1.0 2.0
   29    33    52    61   0.24950  1.0 3.0
   29    33    38    81   0.65300  1.0 1.0
   29    33    38    81  -0.03850 -1.0 2.0
   29    33    38    81   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    65  -0.02500  1.0 1.0
   33    37    40    65  -0.32150 -1.0 2.0
   33    37    40    65  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    52    61    62   0.28000  1.0 3.0
   33    52    61    66  -1.76800  1.0 1.0
   33    52    61    66   1.02600 -1.0 2.0
   33    52    61    66   0.19700  1.0 3.0
   33    52    61    68   0.23450  1.0 1.0
   33    52    61    68   0.02050 -1.0 2.0
   33    52    61    68   0.25250  1.0 3.0
   37    33    52    47  -0.60800  1.0 1.0
   37    33    52    47   1.10050 -1.0 2.0
   37    33    52    47   0.47000  1.0 3.0
   37    33    52    61  -0.60800  1.0 1.0
   37    33    52    61   1.10050 -1.0 2.0
   37    33    52    61   0.47000  1.0 3.0
   37    33    38    81   0.65300  1.0 1.0
   37    33    38    81  -0.03850 -1.0 2.0
   37    33    38    81   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    55   3.62500 -1.0 2.0
   37    40    65    71   3.62500 -1.0 2.0
   37    41    44    49   0.15800  1.0 1.0
   37    41    44    49   1.85350 -1.0 2.0
   37    41    44    49  -0.48700  1.0 3.0
   37    41   -44    81   0.15800  1.0 1.0
   37    41   -44    81   1.85350 -1.0 2.0
   37    41   -44    81  -0.48700  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    51   3.62500 -1.0 2.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    52   0.18550 -1.0 2.0
   40    43    47    52   0.14000  1.0 3.0
   40    43    47    73   0.64500  1.0 1.0
   40    43    47    73   0.14800 -1.0 2.0
   40    43    47    73   0.20650  1.0 3.0
   40    65    71    72   0.84100 -1.0 2.0
   43    40    65    55   3.62500 -1.0 2.0
   43    40    65    71   3.62500 -1.0 2.0
   43    45   -51    55   3.62500 -1.0 2.0
   43    45    51    57   3.62500 -1.0 2.0
   43    47   -52    33   0.82600  1.0 1.0
   43    47   -52    33  -0.32100 -1.0 2.0
   43    47   -52    33   1.02000  1.0 3.0
   43    47    52    61   0.82600  1.0 1.0
   43    47    52    61  -0.32100 -1.0 2.0
   43    47    52    61   1.02000  1.0 3.0
   43    47    73    66  -0.43900 -1.0 2.0
   43    47    73    66   0.14100  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    52   0.18550 -1.0 2.0
   45    43    47    52   0.14000  1.0 3.0
   45    43    47    73   0.64500  1.0 1.0
   45    43    47    73   0.14800 -1.0 2.0
   45    43    47    73   0.20650  1.0 3.0
   45    51    55    56   3.62500 -1.0 2.0
   45    51    55    65   3.62500 -1.0 2.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    59   0.00000  1.0 1.0
   45    51    57    60   0.00000  1.0 1.0
   46    45    51    55   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    55   -65    40   3.62500 -1.0 2.0
   51    55    65    71   3.62500 -1.0 2.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    59   0.00000  1.0 1.0
   55    51    57    60   0.00000  1.0 1.0
   55    65    71    72   0.84100 -1.0 2.0
   56    55    65    40   3.62500 -1.0 2.0
   56    55    65    71   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   57    51    55    65   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    51   3.62500 -1.0 2.0
   47    52    61    62   0.10550  1.0 3.0
   47    52   -61    66  -1.76800  1.0 1.0
   47    52   -61    66   1.02600 -1.0 2.0
   47    52   -61    66   0.19700  1.0 3.0
   47    52    61    68   0.23450  1.0 1.0
   47    52    61    68   0.02050 -1.0 2.0
   47    52    61    68   0.25250  1.0 3.0
   48    47    52    33   0.28000  1.0 3.0
   48    47    52    61   0.28000  1.0 3.0
   48    47    73    66   0.08050  1.0 3.0
   52    33   -37    40   0.09700  1.0 1.0
   52    33   -37    40   0.15600 -1.0 2.0
   52    33   -37    40  -0.50800  1.0 3.0
   52    33    37    41   0.90200  1.0 1.0
   52    33    37    41   0.57900 -1.0 2.0
   52    33    37    41  -0.62100  1.0 3.0
   52    33    38    81   0.65300  1.0 1.0
   52    33    38    81  -0.03850 -1.0 2.0
   52    33    38    81   0.33900  1.0 3.0
   52    33    38    39   0.30150 -1.0 2.0
   52    47   -73    66  -0.24150  1.0 1.0
   52    47   -73    66  -0.46200 -1.0 2.0
   52    47   -73    66   0.11700  1.0 3.0
   52    61    66    67   0.30150 -1.0 2.0
   52    61   -66    73   0.40000  1.0 3.0
   52    61    68    69   0.15000  1.0 3.0
   52    61    68    74   1.53400  1.0 1.0
   52    61    68    74  -0.09950 -1.0 2.0
   52    61    68    74   0.05700  1.0 3.0
   52    61    68    78   1.53400  1.0 1.0
   52    61    68    78  -0.09950 -1.0 2.0
   52    61    68    78   0.05700  1.0 3.0
   61    66   -73    47   1.63150  1.0 1.0
   61    66   -73    47   2.92000 -1.0 2.0
   61    68    74    75   0.15000  1.0 3.0
   61    68    74    76   0.15000  1.0 3.0
   61    68    74    77   0.15000  1.0 3.0
   61    68    78    79   0.15000  1.0 3.0
   61    68    78    80   0.15000  1.0 3.0
   61    68    78    84   0.65000  1.0 1.0
   61    68    78    84  -0.02500 -1.0 2.0
   61    68    78    84   0.10000  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    73   0.00000  1.0 1.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    74   0.15000  1.0 3.0
   62    61    68    78   0.15000  1.0 3.0
   66    61    68    69  -0.03800  1.0 3.0
   66    61    68    74   0.33900  1.0 1.0
   66    61    68    74   0.63800 -1.0 2.0
   66    61    68    78   0.33900  1.0 1.0
   66    61    68    78   0.63800 -1.0 2.0
   67    66    73    47   3.00000 -1.0 2.0
   73    47    52    33   1.00600  1.0 1.0
   73    47    52    33  -1.41450 -1.0 2.0
   73    47    52    33   0.25150  1.0 3.0
   73    47   -52    61   1.00600  1.0 1.0
   73    47   -52    61  -1.41450 -1.0 2.0
   73    47   -52    61   0.25150  1.0 3.0
   68    61    66    67   0.00000  1.0 1.0
   68    61    66    73   0.36750  1.0 3.0
   68    78    84    85   0.15000  1.0 3.0
   68    78    84    86   0.15000  1.0 3.0
   68    78    84    87   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   69    68    78    79   0.15000  1.0 3.0
   69    68    78    80   0.15000  1.0 3.0
   69    68    78    84   0.15000  1.0 3.0
   74    68    78    79   0.15000  1.0 3.0
   74    68    78    80   0.15000  1.0 3.0
   74    68    78    84   0.65000  1.0 1.0
   74    68    78    84  -0.02500 -1.0 2.0
   74    68    78    84   0.10000  1.0 3.0
   78    68    74    75   0.15000  1.0 3.0
   78    68    74    76   0.15000  1.0 3.0
   78    68    74    77   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    65   0.15800  1.0 1.0
   41    37    40    65   1.85350 -1.0 2.0
   41    37    40    65  -0.48700  1.0 3.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    53   3.62500 -1.0 2.0
   41    44    81    70   3.62500 -1.0 2.0
   41    44    81    38   3.62500 -1.0 2.0
   42    41    44    49  -0.01750  1.0 1.0
   42    41    44    49  -0.32000 -1.0 2.0
   42    41    44    49   0.00600  1.0 3.0
   42    41    44    81  -0.01750  1.0 1.0
   42    41    44    81  -0.32000 -1.0 2.0
   42    41    44    81   0.00600  1.0 3.0
   44    49    53    54   3.62500 -1.0 2.0
   44    49    53    63   3.62500 -1.0 2.0
   44    81   -38    33   2.26350  1.0 1.0
   44    81   -38    33   0.76750 -1.0 2.0
   44    81   -38    33   0.22500  1.0 3.0
   44    81    38    39   1.05000 -1.0 2.0
   49    44    81    70   3.62500 -1.0 2.0
   49    44    81    38   3.62500 -1.0 2.0
   49    53    63    64   3.62500 -1.0 2.0
   49    53   -63    70   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    63   3.62500 -1.0 2.0
   53    63    70    81   3.62500 -1.0 2.0
   53    63    70    82   3.62500 -1.0 2.0
   54    53    63    64   3.62500 -1.0 2.0
   54    53    63    70   3.62500 -1.0 2.0
   63    70   -81    44   3.62500 -1.0 2.0
   63    70    81    38   3.62500 -1.0 2.0
   63    70    82    83   0.84100 -1.0 2.0
   64    63    70    81   3.62500 -1.0 2.0
   64    63    70    82   3.62500 -1.0 2.0
   70    81    38    33   2.26350  1.0 1.0
   70    81    38    33   0.76750 -1.0 2.0
   70    81    38    33   0.22500  1.0 3.0
   70    81    38    39   1.05000 -1.0 2.0
   81    44    49    50   3.62500 -1.0 2.0
   81    44   -49    53   3.62500 -1.0 2.0
   81    70    82    83   0.84100 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    52    47  -1.76800  1.0 1.0
   38    33    52    47   1.02600 -1.0 2.0
   38    33    52    47   0.19700  1.0 3.0
   38    33    52    61  -1.76800  1.0 1.0
   38    33    52    61   1.02600 -1.0 2.0
   38    33    52    61   0.19700  1.0 3.0
   82    70    81    44   3.62500 -1.0 2.0
   82    70    81    38   3.62500 -1.0 2.0
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    40    37    41   1.10000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   51    46    45    43   1.10000 -1.0 2.0
   55    57    51    45   4.00000 -1.0 2.0
   65    56    55    51   1.10000 -1.0 2.0
   55    71    65    40   4.00000 -1.0 2.0
   61    73    66    67  10.50000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   49    81    44    41   4.00000 -1.0 2.0
   53    50    49    44   1.10000 -1.0 2.0
   63    54    53    49   1.10000 -1.0 2.0
   70    64    63    53   1.10000 -1.0 2.0
   81    82    70    63   4.00000 -1.0 2.0
   70    38    81    44   4.00000 -1.0 2.0
   33    81    38    39  10.50000 -1.0 2.0
END
