* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    227     454
    1     0 S   NP   _N1_     1    28.84793    94.69926   -24.46155
    2     1 S   H    _HN1     2     1.02798   110.33077  -118.93595
    3     1 S   H    _H1_     3     1.02941    87.38907   -10.28830
    4     1 S   H    _H2_     4     1.02819    20.54386   154.22353
    5     1 S   CT   _CA1     5     1.50164   124.76238   102.87851
    6     5 S   HC   _HA1     6     1.09562   105.16681    76.45754
    7     5 S   CO3  _C1_     7     1.53833   112.22759   -43.89954
    8     7 S   O2Z  _O11     8     1.26415   114.98553   -44.74168
    9     7 S   O2Z  _O12     9     1.26200   115.03064   134.00820
   10     5 S   CT   _CB1    10     1.53048   107.36056  -165.38547
   11    10 S   HC   HB11    11     1.09848   109.66030   -46.18318
   12    10 S   HC   HB12    12     1.09803   110.41957    70.50521
   13    10 S   CT   _CG1    13     1.53026   112.50772  -166.88133
   14    13 S   HC   HG11    14     1.09551   110.92828   -64.29076
   15    13 S   HC   HG12    15     1.09622   109.46369    54.94273
   16    13 S   C    _CD1    16     1.51816   111.64890   175.66149
   17    16 S   O    _OE1    17     1.22817   122.95252    18.84534
   18    16 S   N    _N2_    18     1.38555   112.21214  -161.83756
   19    18 S   H    _HN2    19     1.02041   118.91071     2.34076
   20    18 S   CT1  _CA2    20     1.46215   123.27944   177.54976
   21    20 S   HC   _HA2    21     1.09736   109.27120     6.79212
   22    20 S   C    _C2_    22     1.53596   108.95688  -108.74014
   23    22 S   O    _O2_    23     1.23104   122.17345  -148.48247
   24    20 S   CT   _CB2    32     1.53098   111.63727   128.65350
   25    24 S   HC   HB21    33     1.09265   110.10933    57.69136
   26    24 S   HC   HB22    34     1.09520   110.85734   176.09325
   27    22 S   N    _N3_    24     1.38336   113.88074    39.38459
   28    27 S   H    _HN3    25     1.01558   119.59819    -4.86418
   29    24 S   S    _SG2    35     1.82180   112.02951   -63.84026
   30    27 S   CT   _CA3    26     1.45268   123.15924   176.86937
   31    30 S   HC   HA31    27     1.09556   107.72326   -58.92893
   32    30 S   HC   HA32    28     1.09559   107.71822    57.43988
   33    29 S   OS   _O35    36     1.66933    98.84588   154.22254
   34    30 S   CO3  _C3_    29     1.52956   114.20461   179.27774
   35    34 S   O2Z  _O31    30     1.26368   116.15699     0.19077
   36    34 S   O2Z  _O32    31     1.26451   114.38735  -179.86294
   37    33 S   CT   _C16    37     1.43564   115.73321    91.08294
   38    37 S   HC   _H3_    38     1.09571   109.73810   -44.23390
   39    37 S   CM   _C15    39     1.51163   109.13020    79.54845
   40    39 S   HC   _H22    40     1.09014   114.91118    53.33162
   41    37 S   CT   _C17    70     1.54015   107.48510  -162.40010
   42    41 S   HC   _H23    71     1.09557   110.13261   -52.24018
   43    41 S   HC   _H24    72     1.09809   109.82462  -169.00606
   44    39 S   CM   _C14    41     1.34307   128.42977  -126.31115
   45    44 S   HC   _H21    42     1.08685   116.32516   179.54030
   46    41 S   CM   _C18    73     1.50551   112.44602    71.94752
   47    46 S   HC   _H25    74     1.08913   115.15703    70.46888
   48    44 S   CM   _C13    43     1.44523   126.66357    -0.09691
   49    48 S   HC   _H20    44     1.08663   117.13534     1.00112
   50    46 S   CM   _C19    75     1.34255   127.69617  -111.67267
   51    50 S   HC   _H26    76     1.08916   117.02961  -177.31576
   52    48 S   CM   _C12    45     1.34312   126.57702  -179.64282
   53    52 S   HC   _H19    46     1.09013   116.65569  -179.45824
   54    50 S   CT   _C20    77     1.50333   127.50414     3.21345
   55    54 S   HC   _H27    78     1.09431   111.71838    10.34012
   56    54 S   HC   _H28    79     1.09656   108.09321  -106.96055
   57    52 S   CT   _C11    47     1.50211   128.63660     1.24490
   58    57 S   HC   _H17    48     1.09440   112.15843    11.55967
   59    57 S   HC   _H18    49     1.09497   108.31027   126.92654
   60    54 S   CT   _C21    80     1.53532   113.14824   133.04327
   61    60 S   HC   _H29    81     1.09716   108.31540   177.68632
   62    60 S   HC   _H30    82     1.09755   109.70699    61.94041
   63    57 S   CM   _C10    50     1.50118   111.36271  -109.78055
   64    63 S   HC   _H16    51     1.08940   115.35336    73.04908
   65    60 S   CT   _C22    83     1.52559   113.08756   -60.63953
   66    65 S   HC   _H31    84     1.09677   109.47248   -52.54117
   67    65 S   HC   _H32    85     1.09550   109.17504    65.23627
   68    63 S   CM   _C9_    52     1.34227   127.46094  -108.33113
   69    68 S   HC   _H15    53     1.08900   117.28402  -178.69959
   70    65 S   CO3  _C23    86     1.52989   116.26315  -174.44106
   71    70 S   O2Z  _O34    87     1.26603   113.83054   178.46762
   72    70 S   O2Z  _O33    88     1.26082   116.66321    -1.85044
   73    68 S   CT   _C8_    54     1.50118   127.33909     2.53713
   74    73 S   HC   _H13    55     1.09707   108.09276   131.26546
   75    73 S   HC   _H14    56     1.09471   111.65373    15.07015
   76    73 S   CT   _C7_    57     1.52950   111.23230  -108.22068
   77    76 S   HC   _H11    58     1.09744   109.83245   -57.63250
   78    76 S   HC   _H12    59     1.09746   109.70061    59.70479
   79    76 S   CT   _C6_    60     1.53000   111.27589  -179.02221
   80    79 S   HC   _H9_    61     1.09684   109.57030    58.64337
   81    79 S   HC   _H10    62     1.09686   109.57073   -58.63467
   82    79 S   CT   _C5_    63     1.52847   111.33342  -180.00000
   83    82 S   HC   _H7_    64     1.09622   109.86739   -58.87525
   84    82 S   HC   _H8_    65     1.09623   109.86506    58.85409
   85    82 S   CT   _C4_    66     1.52036   111.49253   179.98022
   86    85 S   HC   _H4_    67     1.09469   111.00053   -60.26275
   87    85 S   HC   _H5_    68     1.09469   111.00144    60.25673
   88    85 S   HC   _H6_    69     1.09449   110.26152   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  12   7  10   4   8   4   3   6   3   7   3   7
   3   8   4   7   4   9   5   4   7   4   3   8   5   4   7   3
   5   4   3   8   4   2   1   1   9   5   4   9   5   4   9   5
   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    48    41    42    43    46    47    50  
   39    40    44    41    42    43    46  
   40    44    45    48    49    52    41    42    43    46  
   44    45    48    41  
   42    43    46    47    50    51    54    44  
   43    46    47    50  
   46    47    50  
   45    48    49    52    53    57  
   48    49    52  
   47    50    51    54    55    56    60  
   50    51    54  
   49    52    53    57    58    59    63  
   52    53    57  
   51    54    55    56    60    61    62    65  
   54    55    56    60  
   53    57    58    59    63    64    68  
   57    58    59    63  
   55    56    60    61    62    65    66    67    70  
   56    60    61    62    65  
   60    61    62    65  
   58    59    63    64    68    69    73  
   59    63    64    68  
   63    64    68  
   61    62    65    66    67    70    71    72  
   62    65    66    67    70  
   65    66    67    70  
   64    68    69    73    74    75    76  
   68    69    73  
   66    67    70    71    72  
   67    70    71    72  
   70    71    72  
   69    73    74    75    76    77    78    79  
   73    74    75    76  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    48   380.000  1.444
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.510
   63    64   340.000  1.080
   63    68   549.000  1.340
   68    69   340.000  1.080
   68    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   317.000  1.522
   70    71   656.000  1.250
   70    72   656.000  1.250
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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    70.00000  112.02700
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    48    70.00000  123.01800
   44    39    40    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    70.00000  123.01800
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    63    70.00000  110.12100
   57    52    53    35.00000  117.00000
   57    63    64    35.00000  117.00000
   57    63    68    70.00000  124.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    68    69    35.00000  120.00000
   63    68    73    70.00000  124.00000
   68    63    64    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    70.00000  112.02700
   73    68    69    35.00000  117.00000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    35.00000  117.00000
   41    46    50    70.00000  124.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    60    70.00000  112.02700
   54    50    51    35.00000  117.00000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    70.00000  109.69300
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    70    71    70.00000  117.00000
   65    70    72    70.00000  117.00000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   72    70    71    80.00000  126.00000
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.61850  1.0 1.0
   33    37    41    46  -0.22750 -1.0 2.0
   33    37    41    46   0.15300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    48   7.00000 -1.0 2.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    50   0.09850  1.0 1.0
   37    41    46    50   0.15250 -1.0 2.0
   37    41    46    50  -0.50650  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.31000  1.0 1.0
   39    37    41    46   0.14700 -1.0 2.0
   39    37    41    46   0.07550  1.0 3.0
   39    44    48    49  -0.18600  1.0 3.0
   39    44    48    52   0.28850  1.0 1.0
   39    44    48    52   2.61350 -1.0 2.0
   39    44    48    52   0.78400  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    48   7.00000 -1.0 2.0
   44    48    52    53   7.00000 -1.0 2.0
   44    48    52    57   7.00000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52  -0.18600  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.00000  1.0 1.0
   48    52    57    63  -0.28300  1.0 1.0
   48    52    57    63   0.26700 -1.0 2.0
   48    52    57    63  -0.63300  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    57   7.00000 -1.0 2.0
   52    57    63    64   0.00000  1.0 1.0
   52    57    63    68  -0.28300  1.0 1.0
   52    57    63    68   0.26700 -1.0 2.0
   52    57    63    68  -0.63300  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.33100  1.0 3.0
   53    52    57    63   0.00000  1.0 1.0
   57    63    68    69   7.00000 -1.0 2.0
   57    63    68    73   7.00000 -1.0 2.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    68   0.00000  1.0 1.0
   59    57    63    64   0.33100  1.0 3.0
   59    57    63    68   0.00000  1.0 1.0
   63    68    73    74   0.00000  1.0 1.0
   63    68    73    75   0.00000  1.0 1.0
   63    68    73    76   0.09850  1.0 1.0
   63    68    73    76   0.15250 -1.0 2.0
   63    68    73    76  -0.50650  1.0 3.0
   64    63    68    69   7.00000 -1.0 2.0
   64    63    68    73   7.00000 -1.0 2.0
   68    73    76    77   0.15000  1.0 3.0
   68    73    76    78   0.15000  1.0 3.0
   68    73    76    79   0.34400  1.0 1.0
   68    73    76    79   0.09450 -1.0 2.0
   68    73    76    79   0.11100  1.0 3.0
   69    68    73    74   0.33100  1.0 3.0
   69    68    73    75   0.33100  1.0 3.0
   69    68    73    76   0.00000  1.0 1.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    54   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    50   0.00000  1.0 1.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    50   0.00000  1.0 1.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    60   0.09850  1.0 1.0
   46    50    54    60   0.15250 -1.0 2.0
   46    50    54    60  -0.50650  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    65   0.34400  1.0 1.0
   50    54    60    65   0.09450 -1.0 2.0
   50    54    60    65   0.11100  1.0 3.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.33100  1.0 3.0
   51    50    54    60   0.00000  1.0 1.0
   54    60    65    66   0.15000  1.0 3.0
   54    60    65    67   0.15000  1.0 3.0
   54    60    65    70  -1.63150  1.0 1.0
   54    60    65    70  -0.43550 -1.0 2.0
   54    60    65    70   0.24500  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    65   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    65   0.15000  1.0 3.0
   60    65    70    71   0.41150 -1.0 2.0
   60    65    70    72   0.41150 -1.0 2.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    70  -0.11250  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    70  -0.11250  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.00000  1.0 1.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   37    40    39    44  15.00000 -1.0 2.0
   48    45    44    39  15.00000 -1.0 2.0
   44    49    48    52  15.00000 -1.0 2.0
   57    53    52    48  15.00000 -1.0 2.0
   57    64    63    68  15.00000 -1.0 2.0
   73    69    68    63  15.00000 -1.0 2.0
   41    47    46    50  15.00000 -1.0 2.0
   54    51    50    46  15.00000 -1.0 2.0
   71    65    70    72  10.50000 -1.0 2.0
END
