* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    155    233     439
    1     0 S   NP   _N1_     1    28.16492    97.26722   -21.46846
    2     1 S   H    _HN1     2     1.02777    96.47892  -107.79152
    3     1 S   H    _H1_     3     1.02958    72.44898    -0.56717
    4     1 S   H    _H2_     4     1.02837    42.44682   142.70582
    5     1 S   CT   _CA1     5     1.50124   147.38967   100.02660
    6     5 S   HC   _HA1     6     1.09574   105.22689    88.44908
    7     5 S   CO3  _C1_     7     1.53793   112.35194   -31.76350
    8     7 S   O2Z  _O11     8     1.26364   114.99901   -44.28730
    9     7 S   O2Z  _O12     9     1.26235   114.93078   134.83614
   10     5 S   CT   _CB1    10     1.53097   107.42657  -153.63606
   11    10 S   HC   HB11    11     1.09826   109.36053   -50.52916
   12    10 S   HC   HB12    12     1.09817   110.41678    66.03278
   13    10 S   CT   _CG1    13     1.53012   112.65621  -171.60405
   14    13 S   HC   HG11    14     1.09597   110.47320   -63.74238
   15    13 S   HC   HG12    15     1.09652   109.95062    55.46388
   16    13 S   C    _CD1    16     1.51820   112.31390   175.84612
   17    16 S   O    _OE1    17     1.22748   123.31088    -0.82945
   18    16 S   N    _N2_    18     1.38565   111.70270   179.09129
   19    18 S   H    _HN2    19     1.01574   119.10324     4.60296
   20    18 S   CT1  _CA2    20     1.45831   122.79246   178.48406
   21    20 S   HC   _HA2    21     1.09629   109.21372    21.59199
   22    20 S   C    _C2_    22     1.52622   105.55230   -96.58078
   23    22 S   O    _O2_    23     1.23056   122.29739   -49.34924
   24    20 S   CT   _CB2    32     1.53291   112.17057   144.85269
   25    24 S   HC   HB21    33     1.09464   109.94495    54.38728
   26    24 S   HC   HB22    34     1.09406   109.60571   173.16058
   27    22 S   N    _N3_    24     1.38328   113.26980   131.48117
   28    27 S   H    _HN3    25     1.01604   120.56155    -1.73348
   29    24 S   S    _SG2    35     1.82695   110.55085   -66.00307
   30    27 S   CT   _CA3    26     1.45398   122.21660   179.34658
   31    30 S   HC   HA31    27     1.09574   107.24795   -65.48310
   32    30 S   HC   HA32    28     1.09564   108.12939    50.78732
   33    29 S   CT   _C15    36     1.84512   101.56555  -175.43378
   34    30 S   CO3  _C3_    29     1.52842   114.50694   172.63228
   35    34 S   O2Z  _O31    30     1.26301   116.06122   -11.96871
   36    34 S   O2Z  _O32    31     1.26432   114.43891   168.13391
   37    33 S   CM   _C4_    37     1.52541   111.55574   175.21808
   38    33 S   CT   _C19    80     1.53861   110.18249   -63.60149
   39    38 S   HC   _H39    81     1.09493   111.79339    68.62243
   40    38 S   HC   _H40    82     1.09636   111.91310   -52.74782
   41    38 S   HC   _H41    83     1.09701   111.60209  -172.43582
   42    37 S   CMA  _C5_    38     1.35182   111.94820  -139.77762
   43    42 S   OM   _O20    39     1.25739   135.32332  -176.69204
   44    37 S   CT   _C22    72     1.50813   123.08740    46.81224
   45    44 S   HC   _H48    73     1.09653   109.99423    26.87886
   46    44 S   HC   _H49    74     1.09774   109.65316   141.92199
   47    42 S   CT   _C11    40     1.51445   110.21378     1.43204
   48    47 S   HC   _H28    41     1.09677   112.50025   137.42785
   49    47 S   HC   _H29    42     1.09764   109.93573  -100.86437
   50    44 S   CM   _C8_    75     1.50226   112.73936   -98.09282
   51    50 S   HC   _H27    76     1.08758   117.19996   -57.15681
   52    33 S   CT   _C14    43     1.55282   113.40817    61.87165
   53    52 S   HC   _H32    44     1.09704   111.76869   -90.94690
   54    50 S   CM   _C6_    77     1.33830   124.20362   124.06654
   55    54 S   HC   _H24    78     1.08450   120.47268   179.50425
   56    54 S   HC   _H25    79     1.08450   121.54835    -0.71327
   57    52 S   OS   _O22    45     1.44746   110.88524    31.30455
   58    57 S   CO4  _C10    46     1.35916   117.35974  -161.63999
   59    58 S   O    _O21    47     1.22238   126.91354    -3.89652
   60    58 S   C3T  _C13    48     1.48023   111.05531   177.31679
   61    60 S   HC   _H31    49     1.08669   112.59594    95.76504
   62    60 S   C3T  _C12    50     1.51574   119.66836   -48.88137
   63    62 S   HC   _H30    51     1.08604   116.72006    -3.61964
   64    60 S   C3T  _C16    52     1.52018   121.26725  -119.79219
   65    62 S   CM   _C7_    61     1.46963   119.05924   137.36781
   66    65 S   HC   _H26    62     1.08880   115.26050   -24.19839
   67    64 S   CT   _C20    53     1.50987   117.06057  -140.33351
   68    67 S   HC   _H42    54     1.09525   110.14966    90.76171
   69    67 S   HC   _H43    55     1.09503   112.62892   -29.05178
   70    67 S   HC   _H44    56     1.09506   110.30004  -149.87551
   71    64 S   CT   _C21    57     1.50938   119.76552     2.86662
   72    71 S   HC   _H45    58     1.09492   110.31156   -79.80057
   73    71 S   HC   _H46    59     1.09423   110.15755   160.90532
   74    71 S   HC   _H47    60     1.09482   112.50442    40.87688
   75    65 S   CM   _C9_    63     1.34707   127.08418   156.84868
   76    75 S   CT   _C17    64     1.50284   121.29325   179.59652
   77    76 S   HC   _H33    65     1.09488   110.24477   120.17377
   78    76 S   HC   _H34    66     1.09488   110.25806  -120.00289
   79    76 S   HC   _H35    67     1.09505   112.32297     0.09891
   80    75 S   CT   _C18    68     1.50272   123.59533    -0.35827
   81    80 S   HC   _H36    69     1.09496   110.17898   120.53241
   82    80 S   HC   _H37    70     1.09487   110.17669  -119.79217
   83    80 S   HC   _H38    71     1.09297   112.83784     0.42796
  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  12   5   4   3
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   4   3   5   2   2   1   1   6   9   4  15   6  15   6  11
  12   3   7   3   2   1   3   2   1   1   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    57    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    57    58    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    57    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    57  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    57    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    56    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    57    58  
   49    52    53    57  
   52    53    57  
   51    54    55    56  
   54    55    56  
   53    57    58    59    60  
   57    58  
   55    56  
   56  
    0  
   58    59    60    61    62    64  
   59    60    61    62    63    64    67    71    65  
   60    61    62    64  
   61    62    63    64    67    68    69    70    71    72    73    74    65    66    75  
   62    63    64    67    71    65  
   63    64    67    68    69    70    71    72    73    74    65    66    75    76    80  
   64    67    71    65    66    75  
   67    68    69    70    71    72    73    74    65    66    75  
   66    75    76    77    78    79    80    81    82    83    67    71  
   75    76    80  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   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
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    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    57   320.000  1.410
   57    58   214.000  1.327
   58    59   570.000  1.229
   58    60   290.000  1.496
   60    61   340.000  1.088
   60    62   260.000  1.509
   60    64   260.000  1.509
   62    63   340.000  1.088
   62    64   260.000  1.509
   62    65   305.000  1.480
   64    67   275.000  1.510
   64    71   275.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.080
   65    75   549.000  1.340
   75    76   317.000  1.510
   75    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    57    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    57    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    83.00000  116.90000
   57    52    53    35.00000  109.50000
   57    58    59    83.00000  123.40000
   57    58    60    81.00000  111.40000
   58    60    61    40.00000  116.18000
   58    60    62    65.00000  117.18000
   58    60    64    65.00000  117.18000
   60    58    59    75.00000  121.36600
   60    62    63    37.50000  117.20000
   60    62    64    10.00000   60.00500
   60    62    65    60.00000  120.58800
   60    64    62    10.00000   60.00500
   60    64    67    60.00000  120.94000
   60    64    71    60.00000  120.94000
   62    60    61    37.50000  117.20000
   62    64    67    60.00000  120.94000
   62    64    71    60.00000  120.94000
   62    65    66    40.00000  117.24000
   62    65    75    55.00000  125.06700
   64    60    61    37.50000  117.20000
   64    60    62    10.00000   60.00500
   64    62    63    37.50000  117.20000
   64    67    68    45.00000  109.38400
   64    67    69    45.00000  109.38400
   64    67    70    45.00000  109.38400
   64    71    72    45.00000  109.38400
   64    71    73    45.00000  109.38400
   64    71    74    45.00000  109.38400
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    64    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    62    63    40.00000  112.45000
   65    62    64    60.00000  120.58800
   65    75    76    70.00000  124.00000
   65    75    80    70.00000  124.00000
   75    65    66    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    56    35.00000  120.00000
   54    50    51    35.00000  120.00000
   56    54    55    35.00000  117.00000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    57    58  -0.25900  1.0 1.0
   33    52    57    58  -0.47000 -1.0 2.0
   33    52    57    58   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    57   0.61850  1.0 1.0
   37    33    52    57  -0.22750 -1.0 2.0
   37    33    52    57   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    57   0.61850  1.0 1.0
   42    47    52    57  -0.22750 -1.0 2.0
   42    47    52    57   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    57    58  -0.25900  1.0 1.0
   47    52    57    58  -0.47000 -1.0 2.0
   47    52    57    58   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    57   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    57   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    57    58    59   3.00000 -1.0 2.0
   52    57    58    60   1.63150  1.0 1.0
   52    57    58    60   2.92000 -1.0 2.0
   53    52    57    58   0.08050  1.0 3.0
   57    58    60    61   0.00000  1.0 1.0
   57    58    60    62   0.36750  1.0 3.0
   57    58    60    64   0.36750  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60   -62    64  -0.95700  1.0 1.0
   58    60   -62    64  -0.18200 -1.0 2.0
   58    60   -62    64   0.29450  1.0 3.0
   58    60    62    65  -0.98800  1.0 1.0
   58    60    62    65   0.48800 -1.0 2.0
   58    60    62    65   0.76800  1.0 3.0
   58    60   -64    62  -0.95700  1.0 1.0
   58    60   -64    62  -0.18200 -1.0 2.0
   58    60   -64    62   0.29450  1.0 3.0
   58    60    64    67  -0.95700  1.0 1.0
   58    60    64    67  -0.18200 -1.0 2.0
   58    60    64    67   0.29450  1.0 3.0
   58    60    64    71  -0.95700  1.0 1.0
   58    60    64    71  -0.18200 -1.0 2.0
   58    60    64    71   0.29450  1.0 3.0
   59    58    60    61   0.50000  1.0 3.0
   59    58    60    62   0.30150 -1.0 2.0
   59    58    60    64   0.30150 -1.0 2.0
   60    62   -64    67   0.07850  1.0 1.0
   60    62   -64    67  -0.03950 -1.0 2.0
   60    62   -64    67   0.67350  1.0 3.0
   60    62   -64    71   0.07850  1.0 1.0
   60    62   -64    71  -0.03950 -1.0 2.0
   60    62   -64    71   0.67350  1.0 3.0
   60    62    65    66   0.00000  1.0 1.0
   60    62    65    75   0.09850  1.0 1.0
   60    62    65    75   0.15250 -1.0 2.0
   60    62    65    75  -0.50650  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64    67    70   0.15000  1.0 3.0
   60    64    71    72   0.15000  1.0 3.0
   60    64    71    73   0.15000  1.0 3.0
   60    64    71    74   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60   -62    64   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60   -64    62   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    64    71   0.15000  1.0 3.0
   62    60   -64    67   0.07850  1.0 1.0
   62    60   -64    67  -0.03950 -1.0 2.0
   62    60   -64    67   0.67350  1.0 3.0
   62    60   -64    71   0.07850  1.0 1.0
   62    60   -64    71  -0.03950 -1.0 2.0
   62    60   -64    71   0.67350  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    69   0.15000  1.0 3.0
   62    64    67    70   0.15000  1.0 3.0
   62    64    71    72   0.15000  1.0 3.0
   62    64    71    73   0.15000  1.0 3.0
   62    64    71    74   0.15000  1.0 3.0
   62    65    75    76   7.00000 -1.0 2.0
   62    65    75    80   7.00000 -1.0 2.0
   63    62   -64    60   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    65    66   0.33100  1.0 3.0
   63    62    65    75   0.00000  1.0 1.0
   64    60   -62    63   0.15000  1.0 3.0
   64    60   -62    65   0.34400  1.0 1.0
   64    60   -62    65   0.09450 -1.0 2.0
   64    60   -62    65   0.11100  1.0 3.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    75   0.09850  1.0 1.0
   64    62    65    75   0.15250 -1.0 2.0
   64    62    65    75  -0.50650  1.0 3.0
   67    64    71    72   0.15000  1.0 3.0
   67    64    71    73   0.15000  1.0 3.0
   67    64    71    74   0.15000  1.0 3.0
   71    64    67    68   0.15000  1.0 3.0
   71    64    67    69   0.15000  1.0 3.0
   71    64    67    70   0.15000  1.0 3.0
   65    62   -64    60   0.34400  1.0 1.0
   65    62   -64    60   0.09450 -1.0 2.0
   65    62   -64    60   0.11100  1.0 3.0
   65    62    64    67   0.34400  1.0 1.0
   65    62    64    67   0.09450 -1.0 2.0
   65    62    64    67   0.11100  1.0 3.0
   65    62    64    71   0.34400  1.0 1.0
   65    62    64    71   0.09450 -1.0 2.0
   65    62    64    71   0.11100  1.0 3.0
   65    75    76    77   0.00000  1.0 1.0
   65    75    76    78   0.00000  1.0 1.0
   65    75    76    79   0.00000  1.0 1.0
   65    75    80    81   0.00000  1.0 1.0
   65    75    80    82   0.00000  1.0 1.0
   65    75    80    83   0.00000  1.0 1.0
   66    65    75    76   7.00000 -1.0 2.0
   66    65    75    80   7.00000 -1.0 2.0
   76    75    80    81   0.34800  1.0 3.0
   76    75    80    82   0.34800  1.0 3.0
   76    75    80    83   0.34800  1.0 3.0
   80    75    76    77   0.34800  1.0 3.0
   80    75    76    78   0.34800  1.0 3.0
   80    75    76    79   0.34800  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    56   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    57   0.62750  1.0 1.0
   38    33    52    57  -0.30950 -1.0 2.0
   38    33    52    57   0.27300  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    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   57    60    58    59  10.50000 -1.0 2.0
   62    66    65    75  15.00000 -1.0 2.0
   76    80    75    65  15.00000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   55    56    54    50  15.00000 -1.0 2.0
END
