* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    162    236     473
    1     0 S   NP   _N1_     1    28.63234    95.29013   -20.23028
    2     1 S   H    _HN1     2     1.02783    81.48105   -75.33364
    3     1 S   H    _H1_     3     1.02959    92.04990    32.85975
    4     1 S   H    _H2_     4     1.02842    36.94584   149.02103
    5     1 S   CT   _CA1     5     1.50094   146.75835   166.70365
    6     5 S   HC   _HA1     6     1.09566   105.30356    47.96127
    7     5 S   CO3  _C1_     7     1.53830   112.29632   -72.44742
    8     7 S   O2Z  _O11     8     1.26369   115.03374   -46.13927
    9     7 S   O2Z  _O12     9     1.26225   114.94348   133.26108
   10     5 S   CT   _CB1    10     1.53113   107.46192   165.99324
   11    10 S   HC   HB11    11     1.09819   109.52948   -49.70109
   12    10 S   HC   HB12    12     1.09827   110.35312    66.89378
   13    10 S   CT   _CG1    13     1.53011   112.61100  -170.78510
   14    13 S   HC   HG11    14     1.09460   110.46918   -58.40066
   15    13 S   HC   HG12    15     1.09630   110.10829    60.62342
   16    13 S   C    _CD1    16     1.51777   112.12157  -179.26325
   17    16 S   O    _OE1    17     1.22739   123.10365   -13.66395
   18    16 S   N    _N2_    18     1.38609   111.80477   167.30092
   19    18 S   H    _HN2    19     1.01595   119.09023     0.47230
   20    18 S   CT1  _CA2    20     1.46148   123.30246   179.35350
   21    20 S   HC   _HA2    21     1.09741   109.33431   -12.66847
   22    20 S   C    _C2_    22     1.53453   108.18216  -128.19063
   23    22 S   O    _O2_    23     1.23013   122.26464  -144.94415
   24    20 S   CT   _CB2    32     1.53435   111.81526   109.48930
   25    24 S   HC   HB21    33     1.09498   109.99078    55.36409
   26    24 S   HC   HB22    34     1.09519   109.84362   174.18678
   27    22 S   N    _N3_    24     1.38514   113.34831    42.34942
   28    27 S   H    _HN3    25     1.01522   118.94480    -0.48295
   29    24 S   S    _SG2    35     1.82835   112.01343   -66.07451
   30    27 S   CT   _CA3    26     1.45454   123.41848   175.08195
   31    30 S   HC   HA31    27     1.09525   109.19896    24.96867
   32    30 S   HC   HA32    28     1.09493   107.12356   141.98200
   33    29 S   CT   _C14    36     1.84520    99.61775  -172.55336
   34    33 S   HC   _H7_    37     1.09613   105.91434    42.31440
   35    30 S   CO3  _C3_    29     1.52939   113.17684   -98.47381
   36    35 S   O2Z  _O31    30     1.26398   115.44246   -43.03432
   37    35 S   O2Z  _O32    31     1.26361   114.95266   137.90252
   38    33 S   CT   _C13    38     1.54701   111.86600   158.30640
   39    38 S   HC   _H6_    39     1.09811   108.45024  -169.17874
   40    38 S   CT   _C12    40     1.53631   112.54789    73.05872
   41    40 S   HC   _H19    41     1.09826   109.59029   176.66293
   42    40 S   HC   _H20    42     1.09739   109.93555   -68.00479
   43    38 S   CO4  _C15    78     1.52459   112.78975   -53.95299
   44    43 S   O    _O34    79     1.22364   124.84305   120.68964
   45    40 S   CT   _C11    43     1.53011   112.93739    53.99455
   46    45 S   HC   _H5_    44     1.09609   109.52985  -175.09827
   47    43 S   OS   _O35    80     1.36531   109.52697   -60.64859
   48    45 S   CT   _C10    45     1.53845   113.16713   -50.91851
   49    48 S   HC   _H4_    46     1.09925   107.61965   166.07392
   50    45 S   NP   _N4_    74     1.49618   109.01363    70.47022
   51    50 S   H    _H26    75     1.02870   111.93187    50.81693
   52    50 S   H    _H27    76     1.03058   111.99475   -70.45561
   53    50 S   H    _H28    77     1.02916   111.01708   170.35949
   54    47 S   CT   _C16    81     1.43471   115.57867   179.61437
   55    54 S   HC   _H21    82     1.09554   109.61004   -58.13195
   56    54 S   HC   _H22    83     1.09537   109.44704    62.22311
   57    33 S   CT   _C9_    47     1.54808   111.68508   -76.25805
   58    57 S   HC   _H3_    48     1.09568   110.41245    46.45156
   59    48 S   N    _N5_    66     1.46245   110.59541   -78.71454
   60    59 S   H    _H29    67     1.01609   118.29146    36.98760
   61    54 S   CT   _C17    84     1.51556   108.12042  -177.95025
   62    61 S   HC   _H23    85     1.09505   110.61061   -59.04317
   63    61 S   HC   _H24    86     1.09509   110.58565    59.15654
   64    61 S   HC   _H25    87     1.09351   110.92245  -179.95577
   65    57 S   OS   _O33    49     1.44345   108.21070   165.17448
   66    59 S   C    _C18    68     1.38375   122.59159  -149.18377
   67    66 S   O    _O36    69     1.22844   125.08731     1.89362
   68    65 S   CT   _C6_    50     1.43671   114.07735   -90.73559
   69    68 S   HC   _H13    51     1.09738   110.06308    34.65540
   70    66 S   CT   _C19    70     1.50474   113.16662  -179.36511
   71    70 S   HC   _H30    71     1.09349   109.17210   141.00803
   72    70 S   HC   _H31    72     1.09315   109.06532   -99.35950
   73    70 S   HC   _H32    73     1.09328   111.62279    21.17693
   74    68 S   CT   _C5_    52     1.53888   108.43582   -85.79321
   75    74 S   HC   _H11    53     1.09623   109.75872    53.06788
   76    74 S   HC   _H12    54     1.09729   109.73188   -62.05691
   77    68 S   CT   _C7_    59     1.53659   107.71511   153.16060
   78    77 S   HC   _H14    60     1.09679   109.88539    60.44361
   79    77 S   HC   _H15    61     1.09483   110.29899   178.93210
   80    74 S   CT   _C4_    55     1.52037   113.74607   174.64039
   81    80 S   HC   _H8_    56     1.09354   111.69160    66.58610
   82    80 S   HC   _H9_    57     1.09486   109.99902  -174.18284
   83    80 S   HC   _H10    58     1.09450   111.00507   -54.73590
   84    77 S   CT   _C8_    62     1.52360   112.56424   -60.10263
   85    84 S   HC   _H16    63     1.09454   111.10191   -55.61173
   86    84 S   HC   _H17    64     1.09340   111.31732    65.47986
   87    84 S   HC   _H18    65     1.09470   110.07039  -175.30247
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   8  15   6   5   8   2  13   8   7  14
   7   5   2   1   1   6   5   4   9   3   8   3   3   2   1   1
  10   5   4  15   8   3   2   1   1  10   6   5   7   5   4   3
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    65    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    57    58    65    68    59    43    44    47  
   38    39    40    48    57    58    65    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    48    57    58    65    50    43    44    47    54  
   40    41    42    45    57    43    44    47  
   41    42    45    46    48    49    57    59    50    51    52    53    43    44    47  
   42    45    46    48    50    43  
   45    46    48    50    43  
   44    47    54    55    56    61    45    57  
   47    54  
   46    48    49    57    58    65    59    60    66    50    51    52    53  
   48    49    57    59    50    51    52    53  
   54    55    56    61    62    63    64  
   49    57    58    65    68    59    60    66    67    70    50    51    52    53  
   57    58    65    59    60    66    50  
   51    52    53    57    59  
   52    53  
   53  
    0  
   55    56    61    62    63    64  
   56    61    62    63    64  
   61    62    63    64  
   58    65    68    69    74    77    59    60    66  
   65    68    59  
   60    66    67    70    71    72    73    65  
   66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   68    69    74    75    76    80    77    78    79    84  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    80    81    82    83    77    78    79    84    85    86    87  
   74    75    76    80    77    78    79    84  
   71    72    73  
   72    73  
   73  
    0  
   75    76    80    81    82    83    77    78    79    84  
   76    80    81    82    83    77  
   80    81    82    83    77  
   78    79    84    85    86    87    80  
   79    84    85    86    87  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   367.000  1.471
   48    49   340.000  1.090
   48    57   268.000  1.529
   48    59   337.000  1.449
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   59    60   434.000  1.010
   59    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   50    51   434.000  1.010
   50    52   434.000  1.010
   50    53   434.000  1.010
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    48    58.35000  112.70000
   40    45    50    80.00000  111.20000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    57    58.35000  112.70000
   45    48    59    70.00000  110.72300
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   48    45    46    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    65    50.00000  109.50000
   48    59    60    38.00000  118.40000
   48    59    66    50.00000  121.90000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    65    68    60.00000  109.50000
   65    57    58    35.00000  109.50000
   65    68    69    35.00000  109.50000
   65    68    74    50.00000  109.50000
   65    68    77    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    84    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   59    48    49    35.00000  109.50000
   59    48    57    70.00000  110.72300
   59    66    67    80.00000  122.90000
   59    66    70    70.00000  116.60000
   66    59    60    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    48    80.00000  111.20000
   52    50    51    35.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    63.00000  111.10000
   43    47    54    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    61    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    65   0.56750  1.0 1.0
   29    33    57    65  -0.07550 -1.0 2.0
   29    33    57    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   33    57    65    68   0.06250  1.0 1.0
   33    57    65    68  -0.01100 -1.0 2.0
   33    57    65    68   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    57    48   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    65   0.23400  1.0 3.0
   38    33    57    48   0.56750  1.0 1.0
   38    33    57    48  -0.07550 -1.0 2.0
   38    33    57    48   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    65   0.62750  1.0 1.0
   38    33    57    65  -0.30950 -1.0 2.0
   38    33    57    65   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   38    40    45    50   1.36600  1.0 1.0
   38    40    45    50  -0.11450 -1.0 2.0
   38    40    45    50   0.24250  1.0 3.0
   38    43    47    54   1.63150  1.0 1.0
   38    43    47    54   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   40    38    43    44   0.30150 -1.0 2.0
   40    38    43    47   0.36750  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    57   0.56750  1.0 1.0
   40    45    48    57  -0.07550 -1.0 2.0
   40    45    48    57   0.20000  1.0 3.0
   40    45    48    59  -0.27100  1.0 1.0
   40    45    48    59  -0.01700 -1.0 2.0
   40    45    48    59  -0.48600  1.0 3.0
   40    45    50    51   0.17350  1.0 3.0
   40    45    50    52   0.17350  1.0 3.0
   40    45    50    53   0.17350  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    45    50   0.19200  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   42    40    45    50   0.19200  1.0 3.0
   45    48   -57    33   0.56750  1.0 1.0
   45    48   -57    33  -0.07550 -1.0 2.0
   45    48   -57    33   0.20000  1.0 3.0
   45    48    57    58   0.15000  1.0 3.0
   45    48    57    65   0.62750  1.0 1.0
   45    48    57    65  -0.30950 -1.0 2.0
   45    48    57    65   0.27300  1.0 3.0
   45    48    59    60   0.00000  1.0 1.0
   45    48    59    66  -0.43950  1.0 1.0
   45    48    59    66  -0.08100 -1.0 2.0
   45    48    59    66   0.03350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45    48    59   0.15000  1.0 3.0
   46    45    50    51   0.13050  1.0 3.0
   46    45    50    52   0.13050  1.0 3.0
   46    45    50    53   0.13050  1.0 3.0
   48    45    50    51   0.17350  1.0 3.0
   48    45    50    52   0.17350  1.0 3.0
   48    45    50    53   0.17350  1.0 3.0
   48    57    65    68   0.06250  1.0 1.0
   48    57    65    68  -0.01100 -1.0 2.0
   48    57    65    68   0.28050  1.0 3.0
   48    59    66    67   3.04450 -1.0 2.0
   48    59    66    70   1.49850  1.0 1.0
   48    59    66    70   1.53950 -1.0 2.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    65   0.23400  1.0 3.0
   49    48    59    60   0.00000  1.0 1.0
   49    48    59    66   0.00000  1.0 1.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    43  -0.95700  1.0 1.0
   57    33    38    43  -0.18200 -1.0 2.0
   57    33    38    43   0.29450  1.0 3.0
   57    48    59    60   0.00000  1.0 1.0
   57    48    59    66  -0.43950  1.0 1.0
   57    48    59    66  -0.08100 -1.0 2.0
   57    48    59    66   0.03350  1.0 3.0
   57    65    68    69   0.37050  1.0 3.0
   57    65    68    74   0.06250  1.0 1.0
   57    65    68    74  -0.01100 -1.0 2.0
   57    65    68    74   0.28050  1.0 3.0
   57    65    68    77   0.06250  1.0 1.0
   57    65    68    77  -0.01100 -1.0 2.0
   57    65    68    77   0.28050  1.0 3.0
   58    57    65    68   0.37050  1.0 3.0
   65    68    74    75   0.23400  1.0 3.0
   65    68    74    76   0.23400  1.0 3.0
   65    68    74    80   0.62750  1.0 1.0
   65    68    74    80  -0.30950 -1.0 2.0
   65    68    74    80   0.27300  1.0 3.0
   65    68    77    78   0.23400  1.0 3.0
   65    68    77    79   0.23400  1.0 3.0
   65    68    77    84   0.62750  1.0 1.0
   65    68    77    84  -0.30950 -1.0 2.0
   65    68    77    84   0.27300  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    83   0.15000  1.0 3.0
   68    77    84    85   0.15000  1.0 3.0
   68    77    84    86   0.15000  1.0 3.0
   68    77    84    87   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79   0.15000  1.0 3.0
   69    68    77    84   0.15000  1.0 3.0
   74    68    77    78   0.15000  1.0 3.0
   74    68    77    79   0.15000  1.0 3.0
   74    68    77    84   0.56750  1.0 1.0
   74    68    77    84  -0.07550 -1.0 2.0
   74    68    77    84   0.20000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    80   0.56750  1.0 1.0
   77    68    74    80  -0.07550 -1.0 2.0
   77    68    74    80   0.20000  1.0 3.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    87   0.15000  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    84    87   0.15000  1.0 3.0
   59    48    57    33  -0.27100  1.0 1.0
   59    48    57    33  -0.01700 -1.0 2.0
   59    48    57    33  -0.48600  1.0 3.0
   59    48    57    58   0.15000  1.0 3.0
   59    48    57    65   1.12100  1.0 1.0
   59    48    57    65  -0.16500 -1.0 2.0
   59    66    70    71   0.00000  1.0 1.0
   59    66    70    72   0.00000  1.0 1.0
   59    66    70    73   0.00000  1.0 1.0
   60    59    66    67   2.45000 -1.0 2.0
   60    59    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   50    45    48    49   0.19200  1.0 3.0
   50    45    48    57   1.36600  1.0 1.0
   50    45    48    57  -0.11450 -1.0 2.0
   50    45    48    57   0.24250  1.0 3.0
   50    45    48    59   3.05550  1.0 1.0
   50    45    48    59   2.44300 -1.0 2.0
   50    45    48    59   0.51100  1.0 3.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    45  -0.95700  1.0 1.0
   43    38    40    45  -0.18200 -1.0 2.0
   43    38    40    45   0.29450  1.0 3.0
   43    47    54    55   0.08050  1.0 3.0
   43    47    54    56   0.08050  1.0 3.0
   43    47    54    61  -0.25900  1.0 1.0
   43    47    54    61  -0.47000 -1.0 2.0
   43    47    54    61   0.11750  1.0 3.0
   44    43    47    54   3.00000 -1.0 2.0
   47    54    61    62   0.23400  1.0 3.0
   47    54    61    63   0.23400  1.0 3.0
   47    54    61    64   0.23400  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
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
   36    30    35    37  10.50000 -1.0 2.0
   60    66    59    48   1.00000 -1.0 2.0
   59    70    66    67  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
