* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    150    239     436
    1     0 S   NP   _N1_     1    28.77435    99.04633   -18.88138
    2     1 S   H    _HN1     2     1.02957    64.38914    12.22489
    3     1 S   H    _H1_     3     1.02835    61.09877   141.72298
    4     1 S   H    _H2_     4     1.02777    81.92592  -102.63212
    5     1 S   CT   _CA1     5     1.50123   165.73836    83.71776
    6     5 S   HC   _HA1     6     1.09576   105.22229   111.72581
    7     5 S   CO3  _C1_     7     1.53791   112.37187    -8.46545
    8     7 S   O2Z  _O11     8     1.26363   115.00301   -43.97307
    9     7 S   O2Z  _O12     9     1.26239   114.93383   135.16789
   10     5 S   CT   _CB1    10     1.53104   107.42536  -130.37278
   11    10 S   HC   HB11    11     1.09825   109.33420   -50.70310
   12    10 S   HC   HB12    12     1.09817   110.42749    65.85624
   13    10 S   CT   _CG1    13     1.53007   112.65583  -171.78982
   14    13 S   HC   HG11    14     1.09598   110.46268   -64.13659
   15    13 S   HC   HG12    15     1.09657   109.93666    55.04608
   16    13 S   C    _CD1    16     1.51842   112.36366   175.40940
   17    16 S   O    _OE1    17     1.22738   123.30335    -0.90741
   18    16 S   N    _N2_    18     1.38549   111.64859   179.10343
   19    18 S   H    _HN2    19     1.01558   118.95133     4.89625
   20    18 S   CT1  _CA2    20     1.45898   122.99320   177.95034
   21    20 S   HC   _HA2    21     1.09708   109.07985    21.85141
   22    20 S   C    _C2_    22     1.52847   106.61827   -95.43635
   23    22 S   O    _O2_    23     1.23008   122.85580   -30.87239
   24    20 S   CT   _CB2    32     1.53289   112.01836   145.14006
   25    24 S   HC   HB21    33     1.09359   109.54454    54.73079
   26    24 S   HC   HB22    34     1.09453   109.81220   173.35565
   27    22 S   N    _N3_    24     1.38452   112.74235   151.85987
   28    27 S   H    _HN3    25     1.01666   120.42967    -1.35422
   29    24 S   S    _SG2    35     1.82808   110.56988   -66.93841
   30    27 S   CT   _CA3    26     1.45370   122.35760   178.74727
   31    30 S   HC   HA31    27     1.09570   107.51578   -62.42223
   32    30 S   HC   HA32    28     1.09576   107.87148    53.86886
   33    29 S   CT   _C7_    36     1.88379   102.62767   166.26910
   34    30 S   CO3  _C3_    29     1.52878   114.45823   175.86824
   35    34 S   O2Z  _O31    30     1.26316   116.10296    -0.40734
   36    34 S   O2Z  _O32    31     1.26456   114.38394   179.65057
   37    33 S   CT   _C8_    37     1.56107   106.47227   -72.49504
   38    37 S   HC   _H12    38     1.09644   111.21396   -53.44886
   39    37 S   HC   _H13    39     1.09491   111.04927    64.77969
   40    33 S   CM   _C6_    75     1.53445   103.72285   166.85172
   41    40 S   HC   _H11    76     1.08921   115.48095   -82.50502
   42    37 S   S    _S1_    40     1.83048   115.36165  -175.01902
   43    40 S   CM   _C5_    77     1.34390   128.10298    97.28345
   44    43 S   HC   _H10    78     1.08511   120.87230    -1.17036
   45    42 S   C4T  _C9_    41     1.82890    98.86945   -52.33928
   46    45 S   HC   _H3_    42     1.09438   114.33439   -87.87842
   47    43 S   CT   _C4_    79     1.49412   123.53214   179.64227
   48    47 S   HC   _H7_    80     1.09401   109.87264  -119.76342
   49    47 S   HC   _H8_    81     1.09450   112.40473     0.65342
   50    47 S   HC   _H9_    82     1.09423   109.87312   121.12547
   51    45 S   C4T  _C10    43     1.55956   114.88211   136.60380
   52    51 S   HC   _H4_    44     1.09708   114.15431   144.94244
   53    45 S   N4   _N4_    47     1.45938   110.89858    40.56558
   54    51 S   C4   _C11    45     1.54753    84.97265  -103.25147
   55    54 S   O    _O33    46     1.20915   135.92527   169.32672
   56    33 S   CT1  _C12    48     1.55936   112.57448    45.98553
   57    56 S   HC   _H5_    49     1.10036   106.70953   -65.00315
   58    51 S   N    _N5_    53     1.47862   118.16554    10.99988
   59    58 S   H    _H14    54     1.01774   118.78367   -94.45827
   60    56 S   CO3  _C13    50     1.55258   122.82509    52.68277
   61    60 S   O2Z  _O35    51     1.26030   116.92752     9.64657
   62    60 S   O2Z  _O34    52     1.26709   114.22829  -169.55394
   63    58 S   C    _C14    55     1.38716   122.69131    82.83617
   64    63 S   O    _O36    56     1.22939   124.49750     2.70971
   65    63 S   CT1  _C15    57     1.52526   112.97210  -177.09748
   66    65 S   HC   _H6_    58     1.09681   108.02414   -48.32966
   67    65 S   CA   _C16    59     1.51313   111.58302    73.05751
   68    65 S   NP   _N6_    71     1.49792   110.04277  -161.58277
   69    68 S   H    _H20    72     1.02835   111.54296   179.96044
   70    68 S   H    _H21    73     1.02869   111.11478    59.80569
   71    68 S   H    _H22    74     1.02882   111.42735   -59.43161
   72    67 S   CA   _C17    60     1.40346   119.96590  -115.45042
   73    72 S   HA   _H15    61     1.08754   120.63078    -1.00717
   74    72 S   CA   _C18    62     1.39558   120.60550   178.50695
   75    74 S   HA   _H16    63     1.08646   119.87036  -179.72948
   76    74 S   CA   _C19    64     1.39084   119.67558    -0.06561
   77    76 S   CA   _C20    65     1.39182   120.72411     0.21670
   78    77 S   HA   _H17    66     1.08617   120.95618  -179.77794
   79    76 S   OH   _O37    69     1.36582   118.15629  -179.66839
   80    79 S   HO   _H19    70     0.97252   108.68763   179.02482
   81    67 S   CA   _C21    67     1.40466   121.22555    63.16151
   82    81 S   HA   _H18    68     1.08755   120.62409     0.63796
  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
  17   2   1   1  13   5   4  12   4   8   6   4  12   6   3   2
   1   1  10   6   8   7   2   4   3   7   3   2   1   1  10   4
  12   7  13   5   2   1   1   8   4   7   3   6   5   3   2   1
   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    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    56    57    60    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    54    53    56    57    60    61    62    40    41    43    44    47  
   35    36  
   36  
    0  
   38    39    42    45    46    51    53    56    57    60    40    41    43  
   39    42    45    56    40  
   42    45    56    40  
   41    43    44    47    48    49    50    42    53    56    57    60  
   43    44    47    56  
   45    46    51    52    54    53    56    58  
   44    47    48    49    50    56  
   47    48    49    50  
   46    51    52    54    55    53    56    57    60    58    59    63  
   51    52    54    53    56    58  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    53    56    58    59    63    64    65  
   54    55    53    58    59    63  
   56    57    60    61    62    58    54    55  
   55    56    57    60    58    59    63  
   56    58  
   57    60    61    62  
   60    61    62  
   59    63    64    65    66    67    68  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    72    81    68    69    70    71  
   65    66    67    68  
   66    67    72    73    74    77    81    82    68    69    70    71  
   67    72    81    68    69    70    71  
   72    73    74    75    76    77    78    81    82    68    69    70    71  
   69    70    71    72    81  
   70    71  
   71  
    0  
   73    74    75    76    77    81    82    79  
   74    75    76    81  
   75    76    77    78    81    79    80  
   76    77    79  
   77    78    81    82    79    80  
   78    81    82    79    80  
   81    82    79  
   80    81  
    0  
   82  
    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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    56   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    45   200.000  1.824
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   305.000  1.456
   51    52   340.000  1.090
   51    54   250.000  1.540
   51    58   337.000  1.449
   54    55   930.000  1.212
   54    53   440.000  1.369
   53    56   337.000  1.449
   56    57   340.000  1.090
   56    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   275.000  1.474
   65    68   367.000  1.471
   67    72   469.000  1.400
   67    81   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   79    80   553.000  0.945
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   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    56    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    56    53    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    60    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    45.00000  109.41400
   42    45    51    65.00000  119.05700
   42    45    53    80.00000  108.62000
   45    51    52    37.50000  110.70000
   45    51    54   100.00000   86.36000
   45    51    58    80.00000  110.05700
   45    53    54   100.00000   93.00000
   45    53    56    50.00000  132.70000
   51    45    46    37.50000  110.70000
   51    54    55    60.00000  136.58000
   51    54    53    95.00000   92.72400
   51    58    59    38.00000  118.40000
   51    58    63    50.00000  121.90000
   54    51    52    40.00000  113.37500
   54    53    56    50.00000  132.10000
   53    45    46    50.00000  112.01000
   53    45    51   105.00000   87.49700
   53    54    55    75.00000  131.60000
   53    56    57    35.00000  109.50000
   53    56    60    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    60    61    70.00000  117.00000
   56    60    62    70.00000  117.00000
   60    56    57    35.00000  109.50000
   62    60    61    80.00000  126.00000
   58    51    52    50.00000  112.01000
   58    51    54    75.00000  110.24000
   58    63    64    80.00000  122.90000
   58    63    65    70.00000  116.60000
   63    58    59    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  102.60000
   63    65    68    80.00000  111.20000
   65    63    64    80.00000  120.40000
   65    67    72    60.00000  125.54000
   65    67    81    60.00000  125.54000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   67    65    66    45.00000  110.88000
   67    72    73    35.00000  120.00000
   67    72    74    63.00000  120.00000
   67    81    77    63.00000  120.00000
   67    81    82    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    81    63.00000  120.00000
   76    79    80    35.00000  113.00000
   77    81    82    35.00000  120.00000
   81    67    72    63.00000  120.00000
   81    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
   68    65    66    35.00000  109.50000
   68    65    67    75.00000  110.83300
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   40    33    37    70.00000  112.02700
   40    33    56    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    47    70.00000  124.00000
   43    40    41    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    56    53   0.71400  1.0 1.0
   29    33    56    53   0.04300 -1.0 2.0
   29    33    56    53   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60  -2.17200  1.0 1.0
   29    33    56    60  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    45  -0.25000 -1.0 2.0
   33    37    42    45  -0.01800  1.0 3.0
   33    56    60    61   0.00000  1.0 1.0
   33    56    60    62   0.00000  1.0 1.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    47   7.00000 -1.0 2.0
   37    33    56    53   0.42250  1.0 1.0
   37    33    56    53  -0.48100 -1.0 2.0
   37    33    56    53   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60  -0.84850  1.0 1.0
   37    33    56    60  -0.22800 -1.0 2.0
   37    33    56    60   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    51   0.25150  1.0 1.0
   37    42    45    51  -1.17200 -1.0 2.0
   37    42    45    51   0.53050  1.0 3.0
   37    42   -45    53   0.01700  1.0 1.0
   37    42   -45    53  -0.23550 -1.0 2.0
   37    42   -45    53   0.21350  1.0 3.0
   38    37    42    45   0.32350  1.0 3.0
   39    37    42    45   0.32350  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    54   0.00000  1.0 1.0
   42    45    51    58   0.00000  1.0 1.0
   42    45   -53    54   0.00000  1.0 1.0
   42    45    53    56   0.00000  1.0 1.0
   45    51    54    55  -0.11250  1.0 1.0
   45    51    54    55   0.11400 -1.0 2.0
   45    51    54    55  -0.28950  1.0 3.0
   45    51   -54    53   3.00000 -1.0 2.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    63  -0.43950  1.0 1.0
   45    51    58    63  -0.08100 -1.0 2.0
   45    51    58    63   0.03350  1.0 3.0
   45    53   -56    33   0.00000  1.0 1.0
   45    53    56    57   0.00000  1.0 1.0
   45    53    56    60   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   46    45    51    58   0.15000  1.0 3.0
   46    45   -53    54   0.00000  1.0 1.0
   46    45    53    56   0.00000  1.0 1.0
   51    45   -53    54   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    54   -53    45   3.00000 -1.0 2.0
   51    54   -53    56   3.00000 -1.0 2.0
   51    58    63    64   3.04450 -1.0 2.0
   51    58    63    65   1.15000  1.0 1.0
   51    58    63    65   3.04450 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   54    51    58    59   0.00000  1.0 1.0
   54    51    58    63  -0.42300  1.0 1.0
   54    51    58    63  -0.07000 -1.0 2.0
   54    51    58    63   0.04150  1.0 3.0
   54    53    56    33   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    60   0.00000  1.0 1.0
   55    54   -53    45   3.00000 -1.0 2.0
   55    54    53    56   3.00000 -1.0 2.0
   53    45   -51    52   0.15000  1.0 3.0
   53    45   -51    54   3.00000 -1.0 2.0
   53    45    51    58   2.20050  1.0 1.0
   53    45    51    58   0.63450 -1.0 2.0
   53    45    51    58  -0.91300  1.0 3.0
   53    56    60    61   0.00000  1.0 1.0
   53    56    60    62   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    42   0.44750  1.0 1.0
   56    33   -37    42  -0.17800 -1.0 2.0
   56    33   -37    42   0.20200  1.0 3.0
   56    33    40    41   0.00000  1.0 1.0
   56    33    40    43   0.09850  1.0 1.0
   56    33    40    43   0.15250 -1.0 2.0
   56    33    40    43  -0.50650  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51   -54    53   0.00000  1.0 1.0
   58    63    65    66   0.00000  1.0 1.0
   58    63    65    67   0.00000  1.0 1.0
   58    63    65    68   0.37150  1.0 1.0
   58    63    65    68   1.25400 -1.0 2.0
   58    63    65    68  -0.40250  1.0 3.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.45000 -1.0 2.0
   63    65    67    72   0.04300 -1.0 2.0
   63    65    67    81   0.04300 -1.0 2.0
   63    65    68    69   0.17350  1.0 3.0
   63    65    68    70   0.17350  1.0 3.0
   63    65    68    71   0.17350  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.30150 -1.0 2.0
   64    63    65    68   0.00000  1.0 1.0
   65    67    72    73   3.62500 -1.0 2.0
   65    67    72    74   3.62500 -1.0 2.0
   65    67    81    77   3.62500 -1.0 2.0
   65    67    81    82   3.62500 -1.0 2.0
   66    65    67    72   0.00000  1.0 1.0
   66    65    67    81   0.00000  1.0 1.0
   66    65    68    69   0.13050  1.0 3.0
   66    65    68    70   0.13050  1.0 3.0
   66    65    68    71   0.13050  1.0 3.0
   67    65    68    69   0.17350  1.0 3.0
   67    65    68    70   0.17350  1.0 3.0
   67    65    68    71   0.17350  1.0 3.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    76   3.62500 -1.0 2.0
   72    67    81    77   3.62500 -1.0 2.0
   72    67    81    82   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    81   3.62500 -1.0 2.0
   74    76    79    80   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -81    67   3.62500 -1.0 2.0
   76    77    81    82   3.62500 -1.0 2.0
   77    76    79    80   0.84100 -1.0 2.0
   78    77    81    67   3.62500 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   81    67    72    73   3.62500 -1.0 2.0
   81    67   -72    74   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    81   3.62500 -1.0 2.0
   68    65    67    72  -0.46400 -1.0 2.0
   68    65    67    81  -0.46400 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    56    53   0.21700  1.0 1.0
   40    33    56    53   0.68550 -1.0 2.0
   40    33    56    53  -0.27950  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    60  -0.98800  1.0 1.0
   40    33    56    60   0.48800 -1.0 2.0
   40    33    56    60   0.76800  1.0 3.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    49   0.00000  1.0 1.0
   40    43    47    50   0.00000  1.0 1.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  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
   35    30    34    36  10.50000 -1.0 2.0
   51    53    54    55  10.50000 -1.0 2.0
   56    54    53    45   1.00000 -1.0 2.0
   61    56    60    62  10.50000 -1.0 2.0
   59    63    58    51   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
   72    81    67    65   4.00000 -1.0 2.0
   74    73    72    67   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   81    78    77    76   1.10000 -1.0 2.0
   77    82    81    67   1.10000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   47    44    43    40  15.00000 -1.0 2.0
END
