* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    163    252     475
    1     0 S   NP   _N1_     1    28.63574    95.91744   -22.98383
    2     1 S   H    _HN1     2     1.02783    99.74698   -89.83372
    3     1 S   H    _H1_     3     1.02952    76.29635    16.84481
    4     1 S   H    _H2_     4     1.02830    36.68277   163.24726
    5     1 S   CT   _CA1     5     1.50107   142.06734   122.56251
    6     5 S   HC   _HA1     6     1.09572   105.21708    83.82300
    7     5 S   CO3  _C1_     7     1.53807   112.46807   -36.43721
    8     7 S   O2Z  _O11     8     1.26369   115.00723   -42.28882
    9     7 S   O2Z  _O12     9     1.26242   114.95974   136.91290
   10     5 S   CT   _CB1    10     1.53092   107.43440  -158.16859
   11    10 S   HC   HB11    11     1.09827   109.42179   -49.78336
   12    10 S   HC   HB12    12     1.09814   110.41895    66.84344
   13    10 S   CT   _CG1    13     1.52966   112.57488  -170.78676
   14    13 S   HC   HG11    14     1.09589   110.55231   -64.29462
   15    13 S   HC   HG12    15     1.09666   109.85984    54.91063
   16    13 S   C    _CD1    16     1.51790   112.35378   175.38272
   17    16 S   O    _OE1    17     1.22710   123.34447     3.16446
   18    16 S   N    _N2_    18     1.38606   111.53121  -176.90377
   19    18 S   H    _HN2    19     1.01580   118.94283     2.14658
   20    18 S   CT1  _CA2    20     1.46233   123.56017   179.02763
   21    20 S   HC   _HA2    21     1.09732   109.43763     0.55285
   22    20 S   C    _C2_    22     1.53518   108.61247  -114.99851
   23    22 S   O    _O2_    23     1.23053   122.32624  -148.60313
   24    20 S   CT   _CB2    32     1.53386   111.18763   122.66065
   25    24 S   HC   HB21    33     1.09435   109.39846    55.71133
   26    24 S   HC   HB22    34     1.09465   110.13038   174.34314
   27    22 S   N    _N3_    24     1.38348   113.67566    38.91845
   28    27 S   H    _HN3    25     1.01596   119.55594    -3.44651
   29    24 S   S    _SG2    35     1.82881   111.06133   -66.81645
   30    27 S   CT   _CA3    26     1.45285   123.17306   177.06562
   31    30 S   HC   HA31    27     1.09551   107.51490   -64.33771
   32    30 S   HC   HA32    28     1.09558   107.97043    52.08586
   33    29 S   CT   _C16    36     1.86619   101.84212   148.24654
   34    30 S   CO3  _C3_    29     1.52948   114.11348   174.08192
   35    34 S   O2Z  _O31    30     1.26373   116.07364    -0.61897
   36    34 S   O2Z  _O32    31     1.26433   114.40941   179.43803
   37    33 S   CT   _C15    37     1.53849   107.46461  -169.31548
   38    37 S   HC   _H9_    38     1.09688   110.39430   166.93062
   39    37 S   HC   _H10    39     1.09764   111.58801    50.10086
   40    33 S   CT   _C17    79     1.56368   113.95372    70.73015
   41    40 S   HC   _H3_    80     1.09907   107.00359  -170.82408
   42    33 S   OS   _O39    85     1.44755   111.68010   -47.96307
   43    37 S   CO4  _C14    40     1.51867   112.74444   -72.27190
   44    43 S   O    _O35    41     1.23300   119.41605   127.56063
   45    40 S   OH   _O38    81     1.43365   109.70366   -57.70848
   46    45 S   HO   _H12    82     0.97230   108.44867  -170.76511
   47    42 S   CT   _C20    86     1.42096   117.25858   -69.61579
   48    47 S   HC   _H13    87     1.09377   107.82352   170.62407
   49    47 S   HC   _H14    88     1.09248   112.12356    51.80999
   50    47 S   HC   _H15    89     1.09328   110.71714   -71.85284
   51    43 S   CT   _C13    42     1.53747   115.96162   -55.94410
   52    51 S   OM   _O40    43     1.32198   109.56593   176.65064
   53    51 S   CO4  _C12    44     1.53341   111.07999   -69.22539
   54    53 S   O    _O34    45     1.23085   121.84303   -19.91981
   55    53 S   CA   _C10    46     1.49461   119.04808   160.80623
   56    55 S   CA   _C9_    47     1.38958   119.33972   -13.48510
   57    55 S   CA   _C11    57     1.41460   121.71458   165.79702
   58    56 S   CA   _C8_    48     1.39760   119.68711   178.78276
   59    58 S   HA   _H7_    49     1.09020   119.19432  -179.88465
   60    57 S   OH   _O33    58     1.37569   119.78328    -0.11364
   61    60 S   HO   _H8_    59     0.97305   109.90240     1.25648
   62    56 S   CO4  _C19    76     1.48333   122.02547    -1.86215
   63    62 S   O    _O36    77     1.23001   119.63814   172.44018
   64    58 S   CA   _C7_    50     1.40328   121.82961     0.50668
   65    51 S   CT   _C18    78     1.54486   109.02200    53.51166
   66    64 S   CA   _C21    51     1.40547   118.02093   179.90721
   67    66 S   HA   _H16    52     1.08794   118.28205     0.02798
   68    65 S   OH   _O37    83     1.43297   110.64238    71.15255
   69    68 S   HO   _H11    84     0.97316   107.47752  -174.34431
   70    66 S   CA   _C22    53     1.39070   121.64400   179.93439
   71    70 S   CA   _C23    54     1.39808   118.22248     0.01978
   72    70 S   OS   _O43    71     1.37040   124.99825  -179.88986
   73    71 S   CA   _C5_    55     1.41603   122.10879     0.48457
   74    71 S   CO4  _C24    64     1.47178   117.29181   179.62885
   75    74 S   O    _O41    65     1.21816   123.89330   -88.33482
   76    72 S   CT   _C26    72     1.42228   117.56274    -0.12033
   77    76 S   HC   _H20    73     1.09428   107.73101  -179.93439
   78    76 S   HC   _H21    74     1.09493   111.13135    62.35920
   79    76 S   HC   _H22    75     1.09493   111.13814   -62.22301
   80    64 S   CA   _C6_    56     1.41916   120.72005    -0.00000
   81    73 S   CT   _C4_    60     1.51306   119.38538   179.21740
   82    81 S   HC   _H4_    61     1.09475   110.20763  -120.79810
   83    81 S   HC   _H5_    62     1.09294   113.61865    -2.19856
   84    81 S   HC   _H6_    63     1.09467   110.16667   116.90939
   85    74 S   OS   _O42    66     1.35581   107.34951    91.72620
   86    85 S   CT   _C25    67     1.42981   114.78093  -179.87180
   87    86 S   HC   _H17    68     1.09327   108.13135   179.86294
   88    86 S   HC   _H18    69     1.09430   110.30440    61.13870
   89    86 S   HC   _H19    70     1.09430   110.28358   -61.42723
  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
  18   2   1   1  13   6   5  15   7   7   9   4   5   1   3   2
   1   1  11   6  10   4  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4
   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    65    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    51    62    65    40    41    45    46    68    42    47    48    49    50  
   35    36  
   36  
    0  
   38    39    43    44    51    52    53    65    40    41    45    42    47  
   39    43    44    51    40    42  
   43    44    51    40    42  
   41    45    46    68    69    42    47    43    51    52    53    56    62    63    65  
   45    46    68    42    51    62    65  
   47    48    49    50    43    45    65  
   44    51    52    53    54    55    62    65    68  
   51    52    53    65  
   46    68    51    62    65  
   65  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    62    63    65    68    69  
   53    54    55    62    65    68  
   54    55    56    58    80    57    60    62    65    68  
   55    56    57    65  
   56    58    59    64    73    80    57    60    61    62    63    65  
   58    59    64    66    80    57    60    62    63    65    68  
   60    61    81    62    58    64    66    71    73    80  
   59    64    66    67    70    73    80    62    63    65  
   64    66    80    62  
   61    64    73    80  
   80  
   63    65    68    69    64  
   65    68  
   66    67    70    71    73    80    81    72  
   68    69  
   67    70    71    73    80    74    72    76  
   70    71    80    72  
   69  
    0  
   71    73    80    81    74    75    85    72    76    77    78    79  
   73    80    81    82    83    84    74    75    85    86    72    76  
   76    77    78    79    73    74  
   80    81    82    83    84    74    75    85  
   75    85    86    87    88    89    80    81  
   85    86  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    51   317.000  1.522
   51    52   570.000  1.307
   51    53   317.000  1.522
   51    65   268.000  1.529
   53    54   570.000  1.229
   53    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    80   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    73   469.000  1.400
   71    74   310.000  1.470
   73    80   469.000  1.400
   73    81   317.000  1.510
   80    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   214.000  1.327
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   68    69   553.000  0.945
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   33    42    47    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    51    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    51    52    90.00000  108.74100
   43    51    53    75.00000  107.99600
   43    51    65    63.00000  111.10000
   51    43    44    80.00000  120.40000
   51    53    54    80.00000  120.40000
   51    53    55    65.00000  115.47100
   51    65    62    63.00000  111.10000
   51    65    40    58.35000  112.70000
   51    65    68    50.00000  109.50000
   53    51    52    90.00000  108.74100
   53    55    56    60.00000  119.52600
   53    55    57    60.00000  119.52600
   55    53    54    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    80    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    80    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    80    73    63.00000  120.00000
   64    80    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    74    60.00000  119.52600
   70    72    76    75.00000  111.00000
   71    73    80    63.00000  120.00000
   71    73    81    70.00000  120.00000
   71    74    75    75.00000  123.78400
   71    74    85    81.00000  111.40000
   73    80    57    63.00000  120.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   80    64    66    63.00000  120.00000
   80    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   81    73    80    70.00000  120.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    73    60.00000  119.52600
   74    85    86    83.00000  116.90000
   85    74    75    83.00000  123.40000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    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
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    51    52    50.00000  109.50000
   65    51    53    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    37.50000  110.70000
   65    40    45    50.00000  109.50000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   68    65    40    50.00000  109.50000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    51   0.60050  1.0 1.0
   33    37    43    51   0.05600 -1.0 2.0
   33    37    43    51   0.26150  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    33    42    47   0.06250  1.0 1.0
   37    33    42    47  -0.01100 -1.0 2.0
   37    33    42    47   0.28050  1.0 3.0
   37    43    51    52   0.55300  1.0 1.0
   37    43    51    52   1.25850 -1.0 2.0
   37    43    51    52  -0.23600  1.0 3.0
   37    43    51    53   0.65300  1.0 1.0
   37    43    51    53  -0.03850 -1.0 2.0
   37    43    51    53   0.33900  1.0 3.0
   37    43   -51    65   0.60050  1.0 1.0
   37    43   -51    65   0.05600 -1.0 2.0
   37    43   -51    65   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    51   0.00000  1.0 1.0
   43    51    53    54   0.30150 -1.0 2.0
   43    51    53    55   0.65300  1.0 1.0
   43    51    53    55  -0.03850 -1.0 2.0
   43    51    53    55   0.33900  1.0 3.0
   43    51    65    62   0.11950  1.0 1.0
   43    51    65    62   0.20300 -1.0 2.0
   43    51    65    62  -0.70800  1.0 3.0
   43    51    65    40  -0.95700  1.0 1.0
   43    51    65    40  -0.18200 -1.0 2.0
   43    51    65    40   0.29450  1.0 3.0
   43    51    65    68  -0.09450  1.0 1.0
   43    51    65    68  -1.12950 -1.0 2.0
   43    51    65    68   0.54000  1.0 3.0
   44    43    51    52   0.30150 -1.0 2.0
   44    43    51    53   0.30150 -1.0 2.0
   44    43    51    65   0.30150 -1.0 2.0
   51    53    55    56   2.26350  1.0 1.0
   51    53    55    56   0.76750 -1.0 2.0
   51    53    55    56   0.22500  1.0 3.0
   51    53    55    57   2.26350  1.0 1.0
   51    53    55    57   0.76750 -1.0 2.0
   51    53    55    57   0.22500  1.0 3.0
   51    65   -40    33   0.56750  1.0 1.0
   51    65   -40    33  -0.07550 -1.0 2.0
   51    65   -40    33   0.20000  1.0 3.0
   51    65    40    41   0.15000  1.0 3.0
   51    65    40    45   0.86500  1.0 1.0
   51    65    40    45  -0.17500 -1.0 2.0
   51    65    40    45   0.20800  1.0 3.0
   51    65    68    69  -0.11600  1.0 1.0
   51    65    68    69  -0.09450 -1.0 2.0
   51    65    68    69   0.21250  1.0 3.0
   52    51    53    54   0.30150 -1.0 2.0
   52    51    53    55   0.65300  1.0 1.0
   52    51    53    55  -0.03850 -1.0 2.0
   52    51    53    55   0.33900  1.0 3.0
   52    51    65    62  -0.09450  1.0 1.0
   52    51    65    62  -1.12950 -1.0 2.0
   52    51    65    62   0.54000  1.0 3.0
   52    51    65    40   0.62750  1.0 1.0
   52    51    65    40  -0.30950 -1.0 2.0
   52    51    65    40   0.27300  1.0 3.0
   52    51    65    68   3.69350  1.0 1.0
   52    51    65    68  -1.82950 -1.0 2.0
   53    51    65    62   0.11950  1.0 1.0
   53    51    65    62   0.20300 -1.0 2.0
   53    51    65    62  -0.70800  1.0 3.0
   53    51    65    40  -0.95700  1.0 1.0
   53    51    65    40  -0.18200 -1.0 2.0
   53    51    65    40   0.29450  1.0 3.0
   53    51    65    68  -0.09450  1.0 1.0
   53    51    65    68  -1.12950 -1.0 2.0
   53    51    65    68   0.54000  1.0 3.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55   -56    62   3.62500 -1.0 2.0
   53    55    57    80   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    80   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    80   3.62500 -1.0 2.0
   56    62   -65    51   0.05850 -1.0 2.0
   56    62   -65    51   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    80    73   3.62500 -1.0 2.0
   58    64    80    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    80   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    80   -57    55   3.62500 -1.0 2.0
   64    80    57    60   3.62500 -1.0 2.0
   66    64    80    73   3.62500 -1.0 2.0
   66    64    80    57   3.62500 -1.0 2.0
   66    70   -71    73   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    76   1.63200 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    73    80   3.62500 -1.0 2.0
   70    71    73    81   3.62500 -1.0 2.0
   70    71    74    75   1.05000 -1.0 2.0
   70    71    74    85   0.98750 -1.0 2.0
   70    72    76    77   0.08050  1.0 3.0
   70    72    76    78   0.08050  1.0 3.0
   70    72    76    79   0.08050  1.0 3.0
   71    70    72    76   1.63200 -1.0 2.0
   71    73   -80    64   3.62500 -1.0 2.0
   71    73    80    57   3.62500 -1.0 2.0
   71    73    81    82   0.00000  1.0 1.0
   71    73    81    83   0.00000  1.0 1.0
   71    73    81    84   0.00000  1.0 1.0
   71    74    85    86   0.59950  1.0 1.0
   71    74    85    86   3.24850 -1.0 2.0
   73    71    74    75   1.05000 -1.0 2.0
   73    71    74    85   0.98750 -1.0 2.0
   73    80    57    55   3.62500 -1.0 2.0
   73    80    57    60   3.62500 -1.0 2.0
   80    64    66    67   3.62500 -1.0 2.0
   80    64   -66    70   3.62500 -1.0 2.0
   80    73    81    82   0.00000  1.0 1.0
   80    73    81    83   0.00000  1.0 1.0
   80    73    81    84   0.00000  1.0 1.0
   80    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   81    73    80    64   3.62500 -1.0 2.0
   81    73    80    57   3.62500 -1.0 2.0
   74    71    73    80   3.62500 -1.0 2.0
   74    71    73    81   3.62500 -1.0 2.0
   74    85    86    87   0.08050  1.0 3.0
   74    85    86    88   0.08050  1.0 3.0
   74    85    86    89   0.08050  1.0 3.0
   75    74    85    86   3.00000 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.11250  1.0 3.0
   62    65    40    45  -0.09450  1.0 1.0
   62    65    40    45  -1.12950 -1.0 2.0
   62    65    40    45   0.54000  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    51   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    51    53    54   0.30150 -1.0 2.0
   65    51   -53    55   0.05850 -1.0 2.0
   65    51   -53    55   0.17250  1.0 3.0
   65    40    45    46  -0.11600  1.0 1.0
   65    40    45    46  -0.09450 -1.0 2.0
   65    40    45    46   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    43  -0.95700  1.0 1.0
   40    33   -37    43  -0.18200 -1.0 2.0
   40    33   -37    43   0.29450  1.0 3.0
   40    33    42    47   0.06250  1.0 1.0
   40    33    42    47  -0.01100 -1.0 2.0
   40    33    42    47   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   0.23400  1.0 3.0
   68    65    40    45   3.75450  1.0 1.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    65   0.62750  1.0 1.0
   42    33    40    65  -0.30950 -1.0 2.0
   42    33    40    65   0.27300  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   3.69350  1.0 1.0
   42    33    40    45  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    51    43    44  10.50000 -1.0 2.0
   51    55    53    54  10.50000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    80    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   73    74    71    70   4.00000 -1.0 2.0
   80    81    73    71   4.00000 -1.0 2.0
   73    57    80    64   4.00000 -1.0 2.0
   80    60    57    55   4.00000 -1.0 2.0
   71    85    74    75  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
