* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    168    255     486
    1     0 S   NP   _N1_     1    29.71238    96.33848   -25.43076
    2     1 S   H    _HN1     2     1.02786   116.65919   -68.69919
    3     1 S   H    _H1_     3     1.02950    60.61067    28.26803
    4     1 S   H    _H2_     4     1.02822    46.75497  -158.71364
    5     1 S   CT   _CA1     5     1.50117   130.57936   120.79017
    6     5 S   HC   _HA1     6     1.09573   105.19868   109.34180
    7     5 S   CO3  _C1_     7     1.53779   112.49321   -10.89620
    8     7 S   O2Z  _O11     8     1.26372   115.01615   -42.04161
    9     7 S   O2Z  _O12     9     1.26243   114.94969   137.08698
   10     5 S   CT   _CB1    10     1.53047   107.39070  -132.69309
   11    10 S   HC   HB11    11     1.09845   109.34019   -49.96069
   12    10 S   HC   HB12    12     1.09816   110.43545    66.60669
   13    10 S   CT   _CG1    13     1.53006   112.66575  -170.96810
   14    13 S   HC   HG11    14     1.09571   110.68799   -66.36380
   15    13 S   HC   HG12    15     1.09669   109.79515    52.96501
   16    13 S   C    _CD1    16     1.51738   112.02938   173.35849
   17    16 S   O    _OE1    17     1.22714   123.09220     8.76966
   18    16 S   N    _N2_    18     1.38571   111.78064  -171.51816
   19    18 S   H    _HN2    19     1.01604   118.93226    -1.88180
   20    18 S   CT1  _CA2    20     1.45951   123.31307   176.04651
   21    20 S   HC   _HA2    21     1.09487   108.71595   -18.97482
   22    20 S   C    _C2_    22     1.53452   108.30734  -133.45189
   23    22 S   O    _O2_    23     1.23042   122.44892  -145.74245
   24    20 S   CT   _CB2    32     1.53415   112.16005   103.84829
   25    24 S   HC   HB21    33     1.09626   109.92434    51.10254
   26    24 S   HC   HB22    34     1.09556   111.11317   168.80259
   27    22 S   N    _N3_    24     1.38495   113.57497    42.12736
   28    27 S   H    _HN3    25     1.01683   119.55576    -3.75593
   29    24 S   S    _SG2    35     1.82969   114.77371   -69.82626
   30    27 S   CT   _CA3    26     1.45364   122.49997   176.28016
   31    30 S   HC   HA31    27     1.09573   107.60084   -59.47866
   32    30 S   HC   HA32    28     1.09574   107.64894    56.68385
   33    29 S   CT   _C22    36     1.83007    99.55360   -62.16813
   34    33 S   HC   _H3_    37     1.09449   109.06903   -22.43633
   35    33 S   HC   _H4_    38     1.09028   105.09998    94.21566
   36    30 S   CO3  _C3_    29     1.52827   114.78435   178.83568
   37    36 S   O2Z  _O31    30     1.26333   116.19414     4.26347
   38    36 S   O2Z  _O32    31     1.26418   114.39715  -175.97333
   39    33 S   CT   _C13    39     1.53223   113.10071  -145.28118
   40    39 S   HC   _H37    40     1.09629   111.38414   -51.96430
   41    39 S   CO4  _C6_    41     1.50562   109.65478    69.68573
   42    41 S   O    _O21    42     1.22102   126.06259   -81.65785
   43    41 S   OS   _O23    43     1.36079   109.74888    96.10684
   44    43 S   CT   _C15    44     1.44214   111.23006     8.17496
   45    44 S   HC   _H39    45     1.09299   107.47790  -104.13308
   46    39 S   CT   _C14    46     1.55193   116.12624  -177.07711
   47    46 S   HC   _H38    47     1.10067   105.38416   161.68845
   48    44 S   C3T  _C16    63     1.49691   106.59525   134.88140
   49    48 S   HC   _H40    64     1.08356   112.18501   -84.78548
   50    46 S   CT   _C17    48     1.55500   114.00999    44.69671
   51    50 S   HC   _H41    49     1.10024   105.09645    41.02936
   52    82 S   O3T  _O24    65     1.43294   115.72526  -148.24914
   53    50 S   CT   _C11    50     1.55412   116.35362   156.67107
   54    53 S   HC   _H33    51     1.09813   107.93084   -51.04714
   55    53 S   HC   _H34    52     1.09783   108.77757  -164.28076
   56    50 S   OS   _O27    75     1.44414   110.00515   -74.77376
   57    53 S   CM   _C5_    53     1.51412   117.35559    74.26962
   58    56 S   CO4  _C9_    76     1.36327   117.51788   150.98587
   59    58 S   O    _O22    77     1.22267   125.68287     7.94917
   60    57 S   CM   _C4_    54     1.34752   120.00916  -108.79716
   61    60 S   HC   _H29    55     1.08950   118.46358    -3.61585
   62    57 S   CT   _C19    71     1.50393   116.10579    71.84041
   63    62 S   HC   _H42    72     1.09111   110.94170   -80.41813
   64    62 S   HC   _H43    73     1.09298   112.81433   157.97217
   65    62 S   HC   _H44    74     1.09538   110.35885    39.80921
   66    58 S   CM   _C8_    78     1.49608   109.72967  -169.67421
   67    60 S   CT   _C10    56     1.50594   126.54335   165.98323
   68    67 S   HC   _H31    57     1.09315   112.22959    16.41749
   69    67 S   HC   _H32    58     1.09581   109.23697   134.25466
   70    66 S   CM   _C7_    79     1.34698   115.52704   164.53941
   71    70 S   HC   _H30    80     1.08974   119.17558     1.89083
   72    66 S   CT   _C20    86     1.49949   118.77226   -14.38572
   73    72 S   HC   _H45    87     1.09451   110.49857   -51.69703
   74    72 S   HC   _H46    88     1.09254   113.07203  -170.72212
   75    72 S   HC   _H47    89     1.09435   110.63503    68.41938
   76    67 S   CT   _C12    59     1.54130   110.27125  -105.17304
   77    76 S   HC   _H35    60     1.09607   109.35465   173.90519
   78    76 S   HC   _H36    61     1.09830   108.99636   -70.62256
   79    70 S   CT   _C21    81     1.49536   127.57034  -175.63848
   80    79 S   HC   _H48    82     1.09160   113.28099    10.71902
   81    79 S   HC   _H49    83     1.09378   110.13753  -111.85011
   82    76 S   C3T  _C18    62     1.51644   112.03701    51.28189
   83    79 S   OH   _O25    84     1.42327   107.78706   130.11320
   84    83 S   HO   _H54    85     0.97647   107.05888  -169.57829
   85    82 S   CT   _C23    66     1.50168   117.54121    76.13490
   86    85 S   HC   _H52    67     1.09184   110.96435   -59.56883
   87    85 S   HC   _H53    68     1.09343   112.25543   178.82065
   88    85 S   OH   _O26    69     1.42450   109.56605    59.62582
   89    88 S   HO   _H55    70     0.97226   107.04379   179.27665
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  12   5   4   6  10   9   3  12   5   4   2   1
   1  10   7   5   4  10   5   4   2   1   1   7   3   2   4   3
   2   5   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    82    48    49    52  
   45    46    47    50    51    53    76    82    48    49    52    85    56  
   46    47    50    82    48    49    52  
   47    50    51    53    54    55    57    82    48    49    52    56    58  
   50    51    53    48    56  
   49    52    85    86    87    88    50    67    76    77    78    82  
   52    85    76    82  
   51    53    54    55    57    60    62    56    58    59    66  
   53    54    55    57    56    58  
   85    86    87    88    67    76    77    78    82  
   54    55    57    60    61    67    62    63    64    65    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    66    70    72    57  
   60    61    67    68    69    76    62    63    64    65  
   59    66    70    71    79    72    73    74    75  
   66    70    72  
   61    67    68    69    76    77    78    82    62    63    64    65  
   67    68    69    76    62  
   63    64    65    67  
   64    65  
   65  
    0  
   70    71    79    80    81    83    72    73    74    75  
   68    69    76    77    78    82    85  
   69    76    77    78    82  
   76    77    78    82  
   71    79    80    81    83    84    72    73    74    75  
   79    80    81    83    72  
   73    74    75    79  
   74    75  
   75  
    0  
   77    78    82    85    86    87    88  
   78    82    85  
   82    85  
   80    81    83    84  
   81    83    84  
   83    84  
   85    86    87    88    89  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.145000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   275.000  1.510
   82    48   260.000  1.509
   82    52   335.000  1.432
   82    85   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   320.000  1.462
   66    70   549.000  1.340
   66    72   317.000  1.510
   70    71   340.000  1.080
   70    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   320.000  1.410
   83    84   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    82    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    62    65.00000  117.92700
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    67    70.00000  124.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    76    70.00000  112.02700
   67    60    61    35.00000  117.00000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    82    70.00000  112.37300
   69    67    68    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    69    37.50000  110.70000
   76    82    48    60.00000  120.94000
   76    82    52    80.00000  116.47100
   76    82    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    45.00000  109.38400
   82    76    78    45.00000  109.38400
   82    48    49    37.50000  117.20000
   82    48    52    15.00000   60.43100
   82    52    48    15.00000   59.14900
   82    85    86    45.00000  109.38400
   82    85    87    45.00000  109.38400
   82    85    88    50.00000  109.50000
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    82    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   85    82    48    60.00000  120.94000
   85    82    52    80.00000  116.47100
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   62    57    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    90.00000  111.29400
   58    66    70    65.00000  118.96000
   58    66    72    65.00000  116.34900
   66    58    59    80.00000  123.72100
   66    70    71    35.00000  120.00000
   66    70    79    70.00000  124.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   70    79    80    35.00000  109.50000
   70    79    81    35.00000  109.50000
   70    79    83    90.00000  110.39200
   79    70    71    35.00000  117.00000
   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
   72    66    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    82  -0.26800  1.0 1.0
   43    44    48    82   0.69150 -1.0 2.0
   43    44    48    82  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    82   0.06250  1.0 1.0
   44    48   -52    82  -0.01100 -1.0 2.0
   44    48   -52    82   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    82   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    82   0.07850  1.0 1.0
   46    44    48    82  -0.03950 -1.0 2.0
   46    44    48    82   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    62   0.46850  1.0 1.0
   50    53    57    62   0.08550 -1.0 2.0
   50    53    57    62   0.09800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    66   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    67   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    62   0.34800  1.0 3.0
   57    60    67    68   0.00000  1.0 1.0
   57    60    67    69   0.00000  1.0 1.0
   57    60    67    76   0.09850  1.0 1.0
   57    60    67    76   0.15250 -1.0 2.0
   57    60    67    76  -0.50650  1.0 3.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    67    76    77   0.15000  1.0 3.0
   60    67    76    78   0.15000  1.0 3.0
   60    67    76    82   0.34400  1.0 1.0
   60    67    76    82   0.09450 -1.0 2.0
   60    67    76    82   0.11100  1.0 3.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    69   0.33100  1.0 3.0
   61    60    67    76   0.00000  1.0 1.0
   67    76    82    48   0.07850  1.0 1.0
   67    76    82    48  -0.03950 -1.0 2.0
   67    76    82    48   0.67350  1.0 3.0
   67    76    82    52   0.02550  1.0 1.0
   67    76    82    52  -0.02600 -1.0 2.0
   67    76    82    52   1.20400  1.0 3.0
   67    76    82    85   0.56750  1.0 1.0
   67    76    82    85  -0.07550 -1.0 2.0
   67    76    82    85   0.20000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    82   0.15000  1.0 3.0
   69    67    76    77   0.15000  1.0 3.0
   69    67    76    78   0.15000  1.0 3.0
   69    67    76    82   0.15000  1.0 3.0
   76    82    48    44   0.56750  1.0 1.0
   76    82    48    44  -0.07550 -1.0 2.0
   76    82    48    44   0.20000  1.0 3.0
   76    82    48    49   0.15000  1.0 3.0
   76    82   -48    52   0.02550  1.0 1.0
   76    82   -48    52  -0.02600 -1.0 2.0
   76    82   -48    52   1.20400  1.0 3.0
   76    82   -52    48   0.06250  1.0 1.0
   76    82   -52    48  -0.01100 -1.0 2.0
   76    82   -52    48   0.28050  1.0 3.0
   76    82    85    86   0.15000  1.0 3.0
   76    82    85    87   0.15000  1.0 3.0
   76    82    85    88   0.86500  1.0 1.0
   76    82    85    88  -0.17500 -1.0 2.0
   76    82    85    88   0.20800  1.0 3.0
   77    76    82    48   0.15000  1.0 3.0
   77    76    82    52   0.23400  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    48   0.15000  1.0 3.0
   78    76    82    52   0.23400  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    85    88    89  -0.11600  1.0 1.0
   82    85    88    89  -0.09450 -1.0 2.0
   82    85    88    89   0.21250  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    82    85    86   0.15000  1.0 3.0
   48    82    85    87   0.15000  1.0 3.0
   48    82    85    88   0.86500  1.0 1.0
   48    82    85    88  -0.17500 -1.0 2.0
   48    82    85    88   0.20800  1.0 3.0
   49    48   -52    82   0.36800  1.0 3.0
   52    82   -48    44   0.02550  1.0 1.0
   52    82   -48    44  -0.02600 -1.0 2.0
   52    82   -48    44   1.20400  1.0 3.0
   52    82   -48    49   0.23400  1.0 3.0
   52    82    85    86   0.23400  1.0 3.0
   52    82    85    87   0.23400  1.0 3.0
   52    82    85    88   3.69350  1.0 1.0
   52    82    85    88  -1.82950 -1.0 2.0
   85    82    48    44   0.56750  1.0 1.0
   85    82    48    44  -0.07550 -1.0 2.0
   85    82    48    44   0.20000  1.0 3.0
   85    82    48    49   0.15000  1.0 3.0
   85    82   -48    52   0.02550  1.0 1.0
   85    82   -48    52  -0.02600 -1.0 2.0
   85    82   -48    52   1.20400  1.0 3.0
   85    82   -52    48   0.06250  1.0 1.0
   85    82   -52    48  -0.01100 -1.0 2.0
   85    82   -52    48   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    67   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    66    70  -0.56150  1.0 1.0
   56    58    66    70   2.19150 -1.0 2.0
   56    58    66    72  -0.15000  1.0 1.0
   56    58    66    72   0.89550 -1.0 2.0
   56    58    66    72  -0.06900  1.0 3.0
   58    66    70    71   7.00000 -1.0 2.0
   58    66    70    79   7.00000 -1.0 2.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   58    66    72    75   0.15000  1.0 3.0
   59    58    66    70   1.00000 -1.0 2.0
   59    58    66    72  -0.64400  1.0 1.0
   59    58    66    72   0.26850 -1.0 2.0
   66    70    79    80   0.00000  1.0 1.0
   66    70    79    81   0.00000  1.0 1.0
   66    70    79    83   0.67800  1.0 1.0
   66    70    79    83   0.47050 -1.0 2.0
   66    70    79    83  -0.62500  1.0 3.0
   70    66    72    73   0.00000  1.0 1.0
   70    66    72    74   0.00000  1.0 1.0
   70    66    72    75   0.00000  1.0 1.0
   70    79    83    84  -0.07800  1.0 1.0
   70    79    83    84  -0.21500 -1.0 2.0
   70    79    83    84  -0.03150  1.0 3.0
   71    70    79    80   0.33100  1.0 3.0
   71    70    79    81   0.33100  1.0 3.0
   71    70    79    83   0.00000  1.0 1.0
   80    79    83    84   0.19450  1.0 3.0
   81    79    83    84   0.19450  1.0 3.0
   72    66    70    71   7.00000 -1.0 2.0
   72    66    70    79   7.00000 -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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    62    57    60   1.10000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
   58    72    66    70  15.00000 -1.0 2.0
   79    71    70    66  15.00000 -1.0 2.0
END
