* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    223     430
    1     0 S   NP   _N1_     1    29.60624    95.49092   -17.05082
    2     1 S   H    _HN1     2     1.02780    60.54885   -77.61275
    3     1 S   H    _H1_     3     1.02938    96.80193    29.62850
    4     1 S   H    _H2_     4     1.02834    54.54442   135.82051
    5     1 S   CT   _CA1     5     1.50105   152.40058  -159.31881
    6     5 S   HC   _HA1     6     1.09568   105.27226     7.31759
    7     5 S   CO3  _C1_     7     1.53900   112.22410  -113.00094
    8     7 S   O2Z  _O11     8     1.26369   115.03337   -46.24118
    9     7 S   O2Z  _O12     9     1.26230   114.93398   132.78992
   10     5 S   CT   _CB1    10     1.53071   107.41600   125.30566
   11    10 S   HC   HB11    11     1.09817   109.64643   -49.15664
   12    10 S   HC   HB12    12     1.09795   110.31361    67.45229
   13    10 S   CT   _CG1    13     1.52978   112.51888  -170.18079
   14    13 S   HC   HG11    14     1.09497   110.34988   -56.93327
   15    13 S   HC   HG12    15     1.09626   110.14399    62.04780
   16    13 S   C    _CD1    16     1.51797   112.08251  -177.74111
   17    16 S   O    _OE1    17     1.22756   123.12788   -13.47378
   18    16 S   N    _N2_    18     1.38571   111.75585   167.21124
   19    18 S   H    _HN2    19     1.01600   118.97018     0.79623
   20    18 S   CT1  _CA2    20     1.46199   123.48371  -177.59287
   21    20 S   HC   _HA2    21     1.09731   109.31771   -12.22079
   22    20 S   C    _C2_    22     1.53343   108.54327  -127.88287
   23    22 S   O    _O2_    23     1.23026   122.39547  -149.01344
   24    20 S   CT   _CB2    32     1.53500   111.22475   109.74114
   25    24 S   HC   HB21    33     1.09408   109.55881    57.20732
   26    24 S   HC   HB22    34     1.09523   110.53064   175.16341
   27    22 S   N    _N3_    24     1.38389   113.47964    38.64605
   28    27 S   H    _HN3    25     1.01653   119.45399    -3.91322
   29    24 S   S    _SG2    35     1.83379   111.16445   -66.20566
   30    27 S   CT   _CA3    26     1.45285   123.06464   176.83628
   31    30 S   HC   HA31    27     1.09554   107.55619   -62.84501
   32    30 S   HC   HA32    28     1.09560   107.89477    53.53267
   33    29 S   CT   _C18    36     1.87793   101.79329   137.50305
   34    30 S   CO3  _C3_    29     1.52918   114.19706   175.49785
   35    34 S   O2Z  _O31    30     1.26355   116.06859    -0.64255
   36    34 S   O2Z  _O32    31     1.26434   114.40645   179.41183
   37    33 S   CM   _C10    37     1.49747   106.89293    62.05935
   38    37 S   HC   _H31    38     1.09373   114.51542    49.62470
   39    33 S   CT   _C24    55     1.56226   107.68665  -178.15040
   40    39 S   HC   _H48    56     1.09962   108.71427   -58.61430
   41    37 S   CMA  _C11    39     1.35123   128.78750  -130.14270
   42    41 S   OM   _O22    40     1.26658   123.88543   178.10143
   43    39 S   CT   _C23    57     1.54544   113.69587  -179.67555
   44    43 S   HC   _H46    58     1.09562   110.61318    52.11859
   45    43 S   HC   _H47    59     1.09393   110.42040   -65.37021
   46    39 S   OS   _O27    71     1.45418   108.53272    61.45633
   47    41 S   CA   _C6_    41     1.52146   114.84270    -2.94204
   48    43 S   CM   _C14    60     1.50735   111.99528   170.99754
   49    48 S   HC   _H33    61     1.08950   114.03553   -76.54412
   50    46 S   CO4  _C17    72     1.35754   118.67207  -131.31763
   51    50 S   O    _O24    73     1.21907   127.38059     0.60328
   52    47 S   CA   _C7_    42     1.41409   122.03976    10.45252
   53    48 S   CM   _C16    62     1.34690   127.79143   103.71920
   54    50 S   CM   _C13    74     1.48027   106.84540  -179.82983
   55    54 S   HC   _H32    75     1.08732   115.21590   -29.29432
   56    52 S   CA   _C9_    43     1.41292   120.79467   179.14362
   57    33 S   CO4  _C12    53     1.52405   107.61651   -59.08344
   58    57 S   O    _O23    54     1.22995   122.30575   -44.51278
   59    53 S   CT   _C21    63     1.50527   120.44786   179.42393
   60    59 S   HC   _H40    64     1.09503   110.25088   118.94238
   61    59 S   HC   _H41    65     1.09492   110.21947  -121.23088
   62    59 S   HC   _H42    66     1.09509   112.41369    -1.14722
   63    53 S   CT   _C22    67     1.50298   125.17597    -1.76724
   64    63 S   HC   _H43    68     1.09480   110.07296   115.37150
   65    63 S   HC   _H44    69     1.09209   113.61535    -5.67582
   66    63 S   HC   _H45    70     1.09547   110.01818  -125.35121
   67    54 S   CM   _C15    76     1.34493   124.83039   151.03250
   68    56 S   CA   _C5_    44     1.39034   121.11743     0.28324
   69    68 S   HA   _H30    45     1.08631   120.64998   179.78971
   70    56 S   OH   _O26    51     1.37089   123.91881   179.56389
   71    70 S   HO   _H50    52     0.97362   109.30476     2.02806
   72    67 S   CT   _C19    77     1.50614   119.89295   177.65273
   73    72 S   HC   _H34    78     1.09488   110.33144   116.85783
   74    72 S   HC   _H35    79     1.09484   112.42108    -3.45627
   75    72 S   HC   _H36    80     1.09504   110.17083  -123.28057
   76    67 S   CT   _C20    81     1.50328   125.86337    -3.49385
   77    76 S   HC   _H37    82     1.09451   110.16560   106.96946
   78    76 S   HC   _H38    83     1.09214   113.46050   -14.93696
   79    76 S   HC   _H39    84     1.09575   110.08547  -133.74513
   80    68 S   CA   _C4_    46     1.38393   119.42407     0.08393
   81    80 S   HA   _H29    47     1.08672   119.76023   179.73756
   82    47 S   CA   _C8_    48     1.42209   121.87559  -169.94357
   83    82 S   OH   _O25    49     1.37481   123.38271     1.13229
   84    83 S   HO   _H49    50     0.97537   107.50061    -2.37323
  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  11   5   4   3
  17   2   1   1  12   5  15   7   8   3  10   5   4   7  11  10
   3   6   3  10   8  10   3   9   4   1   7   3   2   1   3   2
   1   1   8   7   4   2   1   7   3   2   1   3   2   1   1   4
   2   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    57    58    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    52    56    57    58    39    40    43    44    45    48    46    50  
   35    36  
   36  
    0  
   38    41    42    47    52    82    57    58    39    40    43    46  
   41    42    47    57    39  
   40    43    44    45    48    49    53    46    50    51    54    41    52    57    58  
   43    44    45    48    46    50    57  
   42    47    52    56    80    82    83    57  
   47    52    82  
   44    45    48    49    53    59    63    46    50    57  
   45    48    49    53    46  
   48    49    53    46  
   50    51    54    55    67    48    57  
   52    56    68    80    81    82    83    84    70    57    58  
   49    53    59    60    61    62    63    64    65    66  
   53    59    63  
   51    54    55    67    72    76  
   54    55    67  
   56    68    69    80    82    83    70    71    57    58  
   59    60    61    62    63    64    65    66  
   55    67    72    73    74    75    76    77    78    79  
   67    72    76  
   68    69    80    81    82    70    71    57    58  
   58    68    70    82  
    0  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   72    73    74    75    76    77    78    79  
   69    80    81    82    83    70    71  
   80    81    82    70  
   71    80  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83  
   83    84  
   84  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   320.000  1.460
   47    52   469.000  1.400
   47    82   469.000  1.400
   52    56   469.000  1.400
   52    57   310.000  1.470
   56    68   469.000  1.400
   56    70   450.000  1.364
   68    69   367.000  1.080
   68    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   70    71   553.000  0.945
   57    58   570.000  1.229
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    59   317.000  1.510
   53    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   214.000  1.327
   50    51   570.000  1.229
   50    54   320.000  1.462
   54    55   340.000  1.080
   54    67   549.000  1.340
   67    72   317.000  1.510
   67    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    57    52    65.00000  115.47100
   33    57    58    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    47    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    47    52    60.00000  120.93500
   41    47    82    60.00000  120.93500
   47    41    42    85.00000  114.86500
   47    52    56    63.00000  120.00000
   47    52    57    60.00000  119.52600
   47    82    80    63.00000  120.00000
   47    82    83    70.00000  120.00000
   52    56    68    63.00000  120.00000
   52    56    70    70.00000  120.00000
   52    57    58    75.00000  123.78400
   56    68    69    35.00000  120.00000
   56    68    80    63.00000  120.00000
   56    70    71    35.00000  113.00000
   68    80    81    35.00000  120.00000
   68    80    82    63.00000  120.00000
   80    68    69    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    47    52    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   70    56    68    70.00000  120.00000
   57    33    37    70.00000  109.06800
   57    52    56    60.00000  119.52600
   39    33    37    70.00000  112.02700
   39    33    57    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    70.00000  112.02700
   39    46    50    83.00000  116.90000
   43    39    40    37.50000  110.70000
   43    48    49    35.00000  117.00000
   43    48    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    59    70.00000  124.00000
   48    53    63    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    53    59    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  109.50000
   46    50    51    83.00000  123.40000
   46    50    54    90.00000  111.29400
   50    54    55    40.00000  117.72500
   50    54    67    65.00000  118.96000
   54    50    51    80.00000  123.72100
   54    67    72    70.00000  124.00000
   54    67    76    70.00000  124.00000
   67    54    55    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   67    76    77    35.00000  109.50000
   67    76    78    35.00000  109.50000
   67    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    57    52   0.65300  1.0 1.0
   29    33    57    52  -0.03850 -1.0 2.0
   29    33    57    52   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    48   0.34400  1.0 1.0
   33    39    43    48   0.09450 -1.0 2.0
   33    39    43    48   0.11100  1.0 3.0
   33    39    46    50  -0.25900  1.0 1.0
   33    39    46    50  -0.47000 -1.0 2.0
   33    39    46    50   0.11750  1.0 3.0
   37    33    57    52   0.65300  1.0 1.0
   37    33    57    52  -0.03850 -1.0 2.0
   37    33    57    52   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    46   0.61850  1.0 1.0
   37    33    39    46  -0.22750 -1.0 2.0
   37    33    39    46   0.15300  1.0 3.0
   37    41   -47    52   0.15800  1.0 1.0
   37    41   -47    52   1.85350 -1.0 2.0
   37    41   -47    52  -0.48700  1.0 3.0
   37    41    47    82   0.15800  1.0 1.0
   37    41    47    82   1.85350 -1.0 2.0
   37    41    47    82  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    47    52    56   3.62500 -1.0 2.0
   41    47    52    57   3.62500 -1.0 2.0
   41    47    82    80   3.62500 -1.0 2.0
   41    47    82    83   3.62500 -1.0 2.0
   42    41    47    52  -0.01750  1.0 1.0
   42    41    47    52  -0.32000 -1.0 2.0
   42    41    47    52   0.00600  1.0 3.0
   42    41    47    82  -0.01750  1.0 1.0
   42    41    47    82  -0.32000 -1.0 2.0
   42    41    47    82   0.00600  1.0 3.0
   47    52    56    68   3.62500 -1.0 2.0
   47    52    56    70   3.62500 -1.0 2.0
   47    52   -57    33   2.26350  1.0 1.0
   47    52   -57    33   0.76750 -1.0 2.0
   47    52   -57    33   0.22500  1.0 3.0
   47    52    57    58   1.05000 -1.0 2.0
   47    82    83    84   0.84100 -1.0 2.0
   52    47    82    80   3.62500 -1.0 2.0
   52    47    82    83   3.62500 -1.0 2.0
   52    56    68    69   3.62500 -1.0 2.0
   52    56   -68    80   3.62500 -1.0 2.0
   52    56    70    71   0.84100 -1.0 2.0
   56    52    57    33   2.26350  1.0 1.0
   56    52    57    33   0.76750 -1.0 2.0
   56    52    57    33   0.22500  1.0 3.0
   56    52    57    58   1.05000 -1.0 2.0
   56    68    80    81   3.62500 -1.0 2.0
   56    68    80    82   3.62500 -1.0 2.0
   68    56    70    71   0.84100 -1.0 2.0
   68    80   -82    47   3.62500 -1.0 2.0
   68    80    82    83   3.62500 -1.0 2.0
   69    68    80    81   3.62500 -1.0 2.0
   69    68    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    47   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    47   -52    56   3.62500 -1.0 2.0
   82    47    52    57   3.62500 -1.0 2.0
   70    56    68    69   3.62500 -1.0 2.0
   70    56    68    80   3.62500 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    41  -0.51250  1.0 1.0
   57    33   -37    41  -0.88800 -1.0 2.0
   57    33   -37    41   0.08850  1.0 3.0
   57    33    39    40  -0.11250  1.0 3.0
   57    33    39    43  -0.95700  1.0 1.0
   57    33    39    43  -0.18200 -1.0 2.0
   57    33    39    43   0.29450  1.0 3.0
   57    33    39    46  -0.09450  1.0 1.0
   57    33    39    46  -1.12950 -1.0 2.0
   57    33    39    46   0.54000  1.0 3.0
   57    52    56    68   3.62500 -1.0 2.0
   57    52    56    70   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    57    52   0.05850 -1.0 2.0
   39    33    57    52   0.17250  1.0 3.0
   39    33    57    58   0.30150 -1.0 2.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    53   0.09850  1.0 1.0
   39    43    48    53   0.15250 -1.0 2.0
   39    43    48    53  -0.50650  1.0 3.0
   39    46    50    51   3.00000 -1.0 2.0
   39    46    50    54   2.00000 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    46    50   0.08050  1.0 3.0
   43    39    46    50  -0.25900  1.0 1.0
   43    39    46    50  -0.47000 -1.0 2.0
   43    39    46    50   0.11750  1.0 3.0
   43    48    53    59   7.00000 -1.0 2.0
   43    48    53    63   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    62   0.00000  1.0 1.0
   48    53    63    64   0.00000  1.0 1.0
   48    53    63    65   0.00000  1.0 1.0
   48    53    63    66   0.00000  1.0 1.0
   49    48    53    59   7.00000 -1.0 2.0
   49    48    53    63   7.00000 -1.0 2.0
   59    53    63    64   0.34800  1.0 3.0
   59    53    63    65   0.34800  1.0 3.0
   59    53    63    66   0.34800  1.0 3.0
   63    53    59    60   0.34800  1.0 3.0
   63    53    59    61   0.34800  1.0 3.0
   63    53    59    62   0.34800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    48   0.61850  1.0 1.0
   46    39    43    48  -0.22750 -1.0 2.0
   46    39    43    48   0.15300  1.0 3.0
   46    50    54    55   1.63100 -1.0 2.0
   46    50    54    67  -0.56150  1.0 1.0
   46    50    54    67   2.19150 -1.0 2.0
   50    54    67    72   7.00000 -1.0 2.0
   50    54    67    76   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    67   1.00000 -1.0 2.0
   54    67    72    73   0.00000  1.0 1.0
   54    67    72    74   0.00000  1.0 1.0
   54    67    72    75   0.00000  1.0 1.0
   54    67    76    77   0.00000  1.0 1.0
   54    67    76    78   0.00000  1.0 1.0
   54    67    76    79   0.00000  1.0 1.0
   55    54    67    72   7.00000 -1.0 2.0
   55    54    67    76   7.00000 -1.0 2.0
   72    67    76    77   0.34800  1.0 3.0
   72    67    76    78   0.34800  1.0 3.0
   72    67    76    79   0.34800  1.0 3.0
   76    67    72    73   0.34800  1.0 3.0
   76    67    72    74   0.34800  1.0 3.0
   76    67    72    75   0.34800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   52    82    47    41   4.00000 -1.0 2.0
   56    57    52    47   4.00000 -1.0 2.0
   68    70    56    52   4.00000 -1.0 2.0
   80    69    68    56   1.10000 -1.0 2.0
   82    81    80    68   1.10000 -1.0 2.0
   80    83    82    47   4.00000 -1.0 2.0
   33    52    57    58  10.50000 -1.0 2.0
   43    49    48    53  15.00000 -1.0 2.0
   59    63    53    48  15.00000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   50    55    54    67  15.00000 -1.0 2.0
   72    76    67    54  15.00000 -1.0 2.0
END
