* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    167    252     490
    1     0 S   NP   _N1_     1    29.98664    98.17566   -21.51498
    2     1 S   H    _HN1     2     1.02759    54.08578   140.32102
    3     1 S   H    _H1_     3     1.03482   142.81018  -149.52470
    4     1 S   H    _H2_     4     1.02860    59.16804   -70.26532
    5     1 S   CT   _CA1     5     1.50011   105.44310    35.19702
    6     5 S   HC   _HA1     6     1.09563   104.95700   116.58773
    7     5 S   CO3  _C1_     7     1.53635   113.39687    -4.11832
    8     7 S   O2Z  _O11     8     1.26354   115.15097   -35.51369
    9     7 S   O2Z  _O12     9     1.26257   114.96127   143.99762
   10     5 S   CT   _CB1    10     1.53007   107.45400  -125.08851
   11    10 S   HC   HB11    11     1.09518   109.42766   -41.94356
   12    10 S   HC   HB12    12     1.09838   110.40296    73.63402
   13    10 S   CT   _CG1    13     1.53149   112.87550  -164.67990
   14    13 S   HC   HG11    14     1.09355   110.54397   -96.17227
   15    13 S   HC   HG12    15     1.09599   111.75045    23.14896
   16    13 S   C    _CD1    16     1.51372   109.88330   143.92906
   17    16 S   O    _OE1    17     1.22748   121.96120    92.01020
   18    16 S   N    _N2_    18     1.38508   112.28990   -85.34779
   19    18 S   H    _HN2    19     1.01588   118.99106    -3.39338
   20    18 S   CT1  _CA2    20     1.46214   123.71566   174.24755
   21    20 S   HC   _HA2    21     1.09703   109.27705   -14.24837
   22    20 S   C    _C2_    22     1.53768   108.30404  -130.08439
   23    22 S   O    _O2_    23     1.23033   122.22946  -153.46417
   24    20 S   CT   _CB2    32     1.53320   111.51574   108.36154
   25    24 S   HC   HB21    33     1.09491   109.52722    55.84025
   26    24 S   HC   HB22    34     1.09516   110.61019   174.33424
   27    22 S   N    _N3_    24     1.38364   113.73381    33.26797
   28    27 S   H    _HN3    25     1.01441   119.05768    -0.74913
   29    24 S   S    _SG2    35     1.82692   112.02783   -65.99566
   30    27 S   CT   _CA3    26     1.45332   123.60730   178.87465
   31    30 S   HC   HA31    27     1.09542   107.09484   -74.42045
   32    30 S   HC   HA32    28     1.09547   108.44417    42.05750
   33    29 S   CT   _C23    36     1.83706    99.65399   163.03842
   34    33 S   HC   _H3_    37     1.09683   107.79353    19.76451
   35    30 S   CO3  _C3_    29     1.53098   114.22288   164.20594
   36    35 S   O2Z  _O31    30     1.26453   116.31422    -7.69210
   37    35 S   O2Z  _O32    31     1.26398   114.45463   172.45798
   38    33 S   CT   _C16    38     1.53101   107.73684   134.51026
   39    38 S   HC   _H41    39     1.09551   112.46563    59.69574
   40    38 S   HC   _H42    40     1.09620   111.05018   -61.32817
   41    38 S   HC   _H43    41     1.09568   110.42688  -179.94065
   42    33 S   CT   _C22    42     1.54657   114.06444  -100.23866
   43    42 S   HC   _H53    43     1.10020   107.12891   179.60091
   44    42 S   CO4  _C9_    44     1.52286   113.25618   -65.37013
   45    44 S   O    _O22    45     1.22591   122.80561   -89.70151
   46    42 S   CT   _C15    87     1.53116   114.03220    63.77514
   47    46 S   HC   _H38    88     1.09415   112.62069   -63.92917
   48    46 S   HC   _H39    89     1.09588   110.43333   176.47874
   49    46 S   HC   _H40    90     1.09488   110.66338    57.22945
   50    44 S   OS   _O26    46     1.36257   111.80703    88.74199
   51    50 S   CT   _C11    47     1.45296   117.34178   179.41583
   52    51 S   HC   _H32    48     1.09737   108.40034   -33.10062
   53    51 S   CM   _C5_    49     1.52617   106.38445  -148.18903
   54    53 S   CM   _C4_    50     1.35489   121.71798  -114.05500
   55    53 S   CT   _C21    70     1.53878   112.11401    66.71007
   56    55 S   HC   _H52    71     1.09989   106.70861     2.63388
   57    54 S   CT   _C10    51     1.51339   122.06246     2.65284
   58    57 S   HC   _H30    52     1.09825   109.54573   133.72625
   59    57 S   HC   _H31    53     1.09835   108.28449  -112.29214
   60    54 S   CT   _C17    65     1.51060   125.84042  -177.81744
   61    60 S   HC   _H44    66     1.08680   114.36628    -7.48404
   62    60 S   HC   _H45    67     1.09508   110.18690  -127.94031
   63    55 S   CT   _C14    72     1.53288   113.16456   116.70999
   64    63 S   HC   _H35    73     1.09232   112.90933    80.46439
   65    63 S   HC   _H36    74     1.09570   111.06871   -41.27057
   66    63 S   HC   _H37    75     1.09553   110.42754  -159.86236
   67    55 S   CT   _C19    76     1.54297   112.15669  -112.40892
   68    67 S   HC   _H48    77     1.09319   110.97588   -71.49787
   69    67 S   HC   _H49    78     1.09729   109.09328    45.32174
   70    57 S   CT   _C13    54     1.53076   116.09603    12.37704
   71    70 S   HC   _H34    55     1.09591   110.34245    88.66991
   72    60 S   OH   _O24    68     1.42299   109.06341   113.24927
   73    72 S   HO   _H55    69     0.97243   106.81364   177.92698
   74    67 S   CT   _C18    79     1.52951   113.19886   166.34384
   75    74 S   HC   _H46    80     1.09696   110.34086   -54.82374
   76    74 S   HC   _H47    81     1.09620   110.72999    62.31582
   77    51 S   CT   _C12    56     1.53282   108.11750    85.10295
   78    77 S   HC   _H33    57     1.09986   109.43630   -31.50878
   79    74 S   CT   _C20    82     1.52314   111.31927  -176.32662
   80    79 S   HC   _H50    83     1.09477   110.92542    60.13760
   81    79 S   HC   _H51    84     1.09474   110.88775   -61.12178
   82    77 S   CM   _C6_    58     1.49275   119.82914  -153.82274
   83    79 S   OH   _O25    85     1.42087   108.85660   179.45860
   84    83 S   HO   _H56    86     0.97236   107.03191   178.86962
   85    82 S   CO4  _C7_    59     1.48290   107.09383  -153.16084
   86    85 S   O    _O21    60     1.21702   127.26572  -166.39832
   87    82 S   CM   _C8_    62     1.33497   131.13692    25.46500
   88    87 S   HC   _H28    63     1.08402   121.55010     1.20658
   89    87 S   HC   _H29    64     1.08546   121.44472  -179.15791
   90    70 S   OS   _O23    61     1.44286   108.34059  -152.63980
  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  17   7  22  16  15   8  13   6   5   5   3   2   7   3
   2   1   9   5   4   8   5   1   1   7   5   4   8   4   4   3
   2   6   1   1   5   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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    77    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    70    77    78    82    55  
   52    53    54    57    70    71    77    78    82    85    90    87    60    55    56    63    67  
   53    54    70    77    78    82    55  
   54    57    58    59    70    77    78    82    60    61    62    72    55    56    63    64    65    66    67    68    69    74  
   57    58    59    70    71    77    90    60    61    62    72    73    55    56    63    67  
   56    63    64    65    66    67    68    69    74    75    76    79    57    60    77  
   63    64    65    66    67    68    69    74  
   58    59    70    71    77    78    82    85    90    60    61    62    72  
   59    70    71    77    90    60  
   70    71    77    90    60  
   61    62    72    73    70  
   62    72    73  
   72    73  
   64    65    66    67    68    69    74  
   65    66    67  
   66    67  
   67  
   68    69    74    75    76    79    80    81    83  
   69    74    75    76    79  
   74    75    76    79  
   71    77    78    82    85    86    90    87  
   77    78    82    85    90  
   73  
    0  
   75    76    79    80    81    83    84  
   76    79    80    81    83  
   79    80    81    83  
   78    82    85    86    90    87    88    89  
   82    85    90    87  
   80    81    83    84  
   81    83    84  
   83    84  
   85    86    90    87    88    89  
   84  
    0  
   86    90    87    88    89  
   90    87  
   88    89    90  
   89  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   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   0.289000   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   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   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    77   268.000  1.529
   53    54   549.000  1.340
   53    55   317.000  1.510
   54    57   317.000  1.510
   54    60   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    70   268.000  1.529
   70    71   340.000  1.090
   70    77   268.000  1.529
   70    90   320.000  1.410
   77    78   340.000  1.090
   77    82   317.000  1.510
   82    85   320.000  1.462
   82    87   549.000  1.340
   85    86   570.000  1.229
   85    90   214.000  1.327
   87    88   340.000  1.080
   87    89   340.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    72   320.000  1.410
   72    73   553.000  0.945
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   320.000  1.410
   83    84   553.000  0.945
   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  110.90400
   50    51    77    50.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    55    65.00000  117.92700
   51    77    70    58.35000  112.70000
   51    77    78    37.50000  110.70000
   51    77    82    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    54    57    70.00000  124.00000
   53    54    60    70.00000  124.00000
   53    55    56    35.00000  109.50000
   53    55    63    70.00000  112.02700
   53    55    67    70.00000  112.02700
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    70    70.00000  112.02700
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    72    90.00000  110.39200
   57    70    71    37.50000  110.70000
   57    70    77    58.35000  112.70000
   57    70    90    50.00000  109.50000
   59    57    58    33.00000  107.80000
   70    57    58    37.50000  110.70000
   70    57    59    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    82    70.00000  112.02700
   70    90    85    83.00000  116.90000
   77    51    52    37.50000  110.70000
   77    51    53    70.00000  112.02700
   77    70    71    37.50000  110.70000
   77    82    85    65.00000  116.34900
   77    82    87    70.00000  124.00000
   82    77    78    35.00000  109.50000
   82    85    86    80.00000  123.72100
   82    85    90    90.00000  111.29400
   82    87    88    35.00000  120.00000
   82    87    89    35.00000  120.00000
   90    70    71    35.00000  109.50000
   90    70    77    50.00000  109.50000
   90    85    86    83.00000  123.40000
   87    82    85    65.00000  118.96000
   89    87    88    35.00000  117.00000
   60    54    57    65.00000  117.92700
   60    72    73    55.00000  108.50000
   62    60    61    33.00000  107.80000
   72    60    61    35.00000  109.50000
   72    60    62    35.00000  109.50000
   55    53    54    70.00000  124.00000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    74    58.35000  112.70000
   63    55    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    63    58.35000  112.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    83    50.00000  109.50000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    83    84    55.00000  108.50000
   81    79    80    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    81    35.00000  109.50000
   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  -0.82050  1.0 1.0
   44    50    51    53   0.00600 -1.0 2.0
   44    50    51    53   0.04400  1.0 3.0
   44    50    51    77  -0.25900  1.0 1.0
   44    50    51    77  -0.47000 -1.0 2.0
   44    50    51    77   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.39000  1.0 1.0
   50    51    53    54  -0.05800 -1.0 2.0
   50    51    53    54  -0.55150  1.0 3.0
   50    51    53    55   0.09700  1.0 1.0
   50    51    53    55   0.15600 -1.0 2.0
   50    51    53    55  -0.50800  1.0 3.0
   50    51    77    70   0.62750  1.0 1.0
   50    51    77    70  -0.30950 -1.0 2.0
   50    51    77    70   0.27300  1.0 3.0
   50    51    77    78   0.23400  1.0 3.0
   50    51    77    82   0.61850  1.0 1.0
   50    51    77    82  -0.22750 -1.0 2.0
   50    51    77    82   0.15300  1.0 3.0
   51    53    54    57   7.00000 -1.0 2.0
   51    53    54    60   7.00000 -1.0 2.0
   51    53    55    56   0.34800  1.0 3.0
   51    53    55    63   0.46850  1.0 1.0
   51    53    55    63   0.08550 -1.0 2.0
   51    53    55    63   0.09800  1.0 3.0
   51    53    55    67   0.46850  1.0 1.0
   51    53    55    67   0.08550 -1.0 2.0
   51    53    55    67   0.09800  1.0 3.0
   51    77    82    85   0.09700  1.0 1.0
   51    77    82    85   0.15600 -1.0 2.0
   51    77    82    85  -0.50800  1.0 3.0
   51    77    82    87   0.09850  1.0 1.0
   51    77    82    87   0.15250 -1.0 2.0
   51    77    82    87  -0.50650  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.34800  1.0 3.0
   52    51    77    70   0.15000  1.0 3.0
   52    51    77    78   0.15000  1.0 3.0
   52    51    77    82   0.15000  1.0 3.0
   53    51    77    70   0.34400  1.0 1.0
   53    51    77    70   0.09450 -1.0 2.0
   53    51    77    70   0.11100  1.0 3.0
   53    51    77    78   0.15000  1.0 3.0
   53    51    77    82   0.31000  1.0 1.0
   53    51    77    82   0.14700 -1.0 2.0
   53    51    77    82   0.07550  1.0 3.0
   53    54    57    58   0.00000  1.0 1.0
   53    54    57    59   0.00000  1.0 1.0
   53    54   -57    70   0.09850  1.0 1.0
   53    54   -57    70   0.15250 -1.0 2.0
   53    54   -57    70  -0.50650  1.0 3.0
   53    54    60    61   0.00000  1.0 1.0
   53    54    60    62   0.00000  1.0 1.0
   53    54    60    72   0.67800  1.0 1.0
   53    54    60    72   0.47050 -1.0 2.0
   53    54    60    72  -0.62500  1.0 3.0
   53    55    63    64   0.15000  1.0 3.0
   53    55    63    65   0.15000  1.0 3.0
   53    55    63    66   0.15000  1.0 3.0
   53    55    67    68   0.15000  1.0 3.0
   53    55    67    69   0.15000  1.0 3.0
   53    55    67    74   0.34400  1.0 1.0
   53    55    67    74   0.09450 -1.0 2.0
   53    55    67    74   0.11100  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    63   0.09850  1.0 1.0
   54    53    55    63   0.15250 -1.0 2.0
   54    53    55    63  -0.50650  1.0 3.0
   54    53    55    67   0.09850  1.0 1.0
   54    53    55    67   0.15250 -1.0 2.0
   54    53    55    67  -0.50650  1.0 3.0
   54    57    70    71   0.15000  1.0 3.0
   54    57    70    77   0.34400  1.0 1.0
   54    57    70    77   0.09450 -1.0 2.0
   54    57    70    77   0.11100  1.0 3.0
   54    57    70    90   0.61850  1.0 1.0
   54    57    70    90  -0.22750 -1.0 2.0
   54    57    70    90   0.15300  1.0 3.0
   54    60    72    73  -0.07800  1.0 1.0
   54    60    72    73  -0.21500 -1.0 2.0
   54    60    72    73  -0.03150  1.0 3.0
   57    54    60    61   0.34800  1.0 3.0
   57    54    60    62   0.34800  1.0 3.0
   57    54    60    72   0.18000  1.0 1.0
   57    54    60    72   0.16450 -1.0 2.0
   57    54    60    72   0.04450  1.0 3.0
   57    70   -77    51   0.56750  1.0 1.0
   57    70   -77    51  -0.07550 -1.0 2.0
   57    70   -77    51   0.20000  1.0 3.0
   57    70    77    78   0.15000  1.0 3.0
   57    70    77    82   0.34400  1.0 1.0
   57    70    77    82   0.09450 -1.0 2.0
   57    70    77    82   0.11100  1.0 3.0
   57    70    90    85  -0.25900  1.0 1.0
   57    70    90    85  -0.47000 -1.0 2.0
   57    70    90    85   0.11750  1.0 3.0
   58    57    70    71   0.15000  1.0 3.0
   58    57    70    77   0.15000  1.0 3.0
   58    57    70    90   0.23400  1.0 3.0
   59    57    70    71   0.15000  1.0 3.0
   59    57    70    77   0.15000  1.0 3.0
   59    57    70    90   0.23400  1.0 3.0
   70    77   -82    85   0.09700  1.0 1.0
   70    77   -82    85   0.15600 -1.0 2.0
   70    77   -82    85  -0.50800  1.0 3.0
   70    77    82    87   0.09850  1.0 1.0
   70    77    82    87   0.15250 -1.0 2.0
   70    77    82    87  -0.50650  1.0 3.0
   71    70    77    51   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    82   0.15000  1.0 3.0
   71    70    90    85   0.08050  1.0 3.0
   77    51   -53    54   0.09850  1.0 1.0
   77    51   -53    54   0.15250 -1.0 2.0
   77    51   -53    54  -0.50650  1.0 3.0
   77    51    53    55   0.46850  1.0 1.0
   77    51    53    55   0.08550 -1.0 2.0
   77    51    53    55   0.09800  1.0 3.0
   77    70   -90    85  -0.25900  1.0 1.0
   77    70   -90    85  -0.47000 -1.0 2.0
   77    70   -90    85   0.11750  1.0 3.0
   77    82    85    86  -0.64400  1.0 1.0
   77    82    85    86   0.26850 -1.0 2.0
   77    82   -85    90  -0.15000  1.0 1.0
   77    82   -85    90   0.89550 -1.0 2.0
   77    82   -85    90  -0.06900  1.0 3.0
   77    82    87    88   7.00000 -1.0 2.0
   77    82    87    89   7.00000 -1.0 2.0
   78    77    82    85   0.15000  1.0 3.0
   78    77    82    87   0.00000  1.0 1.0
   82    85   -90    70   2.00000 -1.0 2.0
   85    82    87    88   7.00000 -1.0 2.0
   85    82    87    89   7.00000 -1.0 2.0
   86    85    90    70   3.00000 -1.0 2.0
   90    70    77    51   0.62750  1.0 1.0
   90    70    77    51  -0.30950 -1.0 2.0
   90    70    77    51   0.27300  1.0 3.0
   90    70    77    78   0.23400  1.0 3.0
   90    70   -77    82   0.61850  1.0 1.0
   90    70   -77    82  -0.22750 -1.0 2.0
   90    70   -77    82   0.15300  1.0 3.0
   87    82    85    86   1.00000 -1.0 2.0
   87    82    85    90  -0.56150  1.0 1.0
   87    82    85    90   2.19150 -1.0 2.0
   60    54    57    58   0.34800  1.0 3.0
   60    54    57    59   0.34800  1.0 3.0
   60    54    57    70   0.46850  1.0 1.0
   60    54    57    70   0.08550 -1.0 2.0
   60    54    57    70   0.09800  1.0 3.0
   61    60    72    73   0.19450  1.0 3.0
   62    60    72    73   0.19450  1.0 3.0
   55    53    54    57   7.00000 -1.0 2.0
   55    53    54    60   7.00000 -1.0 2.0
   55    67    74    75   0.15000  1.0 3.0
   55    67    74    76   0.15000  1.0 3.0
   55    67    74    79   0.56750  1.0 1.0
   55    67    74    79  -0.07550 -1.0 2.0
   55    67    74    79   0.20000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    74   0.15000  1.0 3.0
   63    55    67    68   0.15000  1.0 3.0
   63    55    67    69   0.15000  1.0 3.0
   63    55    67    74   0.56750  1.0 1.0
   63    55    67    74  -0.07550 -1.0 2.0
   63    55    67    74   0.20000  1.0 3.0
   67    55    63    64   0.15000  1.0 3.0
   67    55    63    65   0.15000  1.0 3.0
   67    55    63    66   0.15000  1.0 3.0
   67    74    79    80   0.15000  1.0 3.0
   67    74    79    81   0.15000  1.0 3.0
   67    74    79    83   0.86500  1.0 1.0
   67    74    79    83  -0.17500 -1.0 2.0
   67    74    79    83   0.20800  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    79   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    79   0.15000  1.0 3.0
   74    79    83    84  -0.11600  1.0 1.0
   74    79    83    84  -0.09450 -1.0 2.0
   74    79    83    84   0.21250  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    83   0.23400  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    83   0.23400  1.0 3.0
   80    79    83    84   0.19450  1.0 3.0
   81    79    83    84   0.19450  1.0 3.0
   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
   51    55    53    54   1.10000 -1.0 2.0
   57    60    54    53   1.10000 -1.0 2.0
   77    85    82    87   1.10000 -1.0 2.0
   82    90    85    86  10.50000 -1.0 2.0
   88    89    87    82   1.10000 -1.0 2.0
END
