* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    170    251     503
    1     0 S   NP   _N1_     1    28.72097    96.12861   -24.16914
    2     1 S   H    _HN1     2     1.02787   108.31715   -92.23027
    3     1 S   H    _H1_     3     1.02949    72.43950    11.85474
    4     1 S   H    _H2_     4     1.02828    36.63963   172.20099
    5     1 S   CT   _CA1     5     1.50111   135.38366   113.39846
    6     5 S   HC   _HA1     6     1.09573   105.19085    92.33599
    7     5 S   CO3  _C1_     7     1.53787   112.46709   -27.89894
    8     7 S   O2Z  _O11     8     1.26373   115.00908   -42.57407
    9     7 S   O2Z  _O12     9     1.26240   114.94701   136.55116
   10     5 S   CT   _CB1    10     1.53078   107.41902  -149.68047
   11    10 S   HC   HB11    11     1.09834   109.37095   -49.63880
   12    10 S   HC   HB12    12     1.09812   110.45329    66.97235
   13    10 S   CT   _CG1    13     1.52990   112.60158  -170.60481
   14    13 S   HC   HG11    14     1.09581   110.64736   -65.86410
   15    13 S   HC   HG12    15     1.09672   109.76750    53.36219
   16    13 S   C    _CD1    16     1.51805   112.20619   173.82676
   17    16 S   O    _OE1    17     1.22735   123.27271     7.74671
   18    16 S   N    _N2_    18     1.38629   111.65893  -172.29895
   19    18 S   H    _HN2    19     1.01585   118.99650     1.57991
   20    18 S   CT1  _CA2    20     1.46255   123.49507   177.61116
   21    20 S   HC   _HA2    21     1.09735   109.28329     5.37892
   22    20 S   C    _C2_    22     1.53643   109.07709  -110.16039
   23    22 S   O    _O2_    23     1.23077   122.21267  -151.58991
   24    20 S   CT   _CB2    32     1.53330   111.30139   127.31617
   25    24 S   HC   HB21    33     1.09480   109.61113    55.48813
   26    24 S   HC   HB22    34     1.09501   110.45913   174.60493
   27    22 S   N    _N3_    24     1.38312   113.90740    36.00841
   28    27 S   H    _HN3    25     1.01554   119.57225    -3.52526
   29    24 S   S    _SG2    35     1.82896   111.30168   -65.67617
   30    27 S   CT   _CA3    26     1.45274   123.24511   177.11921
   31    30 S   HC   HA31    27     1.09549   107.53464   -64.26567
   32    30 S   HC   HA32    28     1.09558   107.96882    52.18301
   33    29 S   CT   _C11    36     1.84641    99.57265   178.41563
   34    33 S   HC   _H5_    37     1.09556   107.49853    45.76866
   35    30 S   CO3  _C3_    29     1.52962   114.05890   174.17419
   36    35 S   O2Z  _O31    30     1.26380   116.07501    -0.06256
   37    35 S   O2Z  _O32    31     1.26427   114.41449   180.00000
   38    33 S   CM   _C12    38     1.51341   107.05990   160.22783
   39    38 S   HC   _H18    39     1.09012   114.84130   -60.34645
   40    33 S   CM   _C10    68     1.51378   108.25163   -74.95263
   41    40 S   HC   _H17    69     1.08769   114.96202   -62.18291
   42    38 S   CM   _C13    40     1.34237   127.70911   120.96894
   43    42 S   HC   _H19    41     1.08654   120.24845    -0.28667
   44    42 S   CT   _C14    42     1.50540   123.91478  -179.80517
   45    44 S   HC   _H20    43     1.09668   110.66277    13.53227
   46    44 S   HC   _H21    44     1.09725   107.51056   130.19451
   47    44 S   CT   _C15    45     1.53378   111.44037  -108.97941
   48    47 S   HC   _H6_    46     1.09777   109.16687    59.02130
   49    47 S   OS   _O33    47     1.44286   107.74517   -60.91022
   50    47 S   CT   _C22    90     1.52417   110.98050  -179.84549
   51    50 S   HC   _H29    91     1.09558   110.95705    61.22469
   52    50 S   HC   _H30    92     1.09421   111.25156   -59.99060
   53    50 S   HC   _H31    93     1.09504   110.66521   179.40422
   54    49 S   CO4  _C16    48     1.36104   117.18287   148.73846
   55    54 S   O    _O34    49     1.22392   126.41503     6.55793
   56    54 S   CT   _C17    50     1.50750   109.76633  -170.16837
   57    56 S   HC   _H22    51     1.09603   107.46521  -138.01367
   58    56 S   HC   _H23    52     1.09621   108.66672   -21.98218
   59    56 S   CT   _C18    53     1.53171   109.62865    99.80210
   60    59 S   HC   _H7_    54     1.09607   110.22587   -40.34851
   61    59 S   CT   _C19    55     1.54379   112.08791  -162.39582
   62    61 S   HC   _H8_    56     1.09740   108.98984    66.31320
   63    59 S   OH   _O37    88     1.43051   108.56494    76.94851
   64    63 S   HO   _H28    89     0.97306   107.78155   -60.61690
   65    61 S   CT   _C20    57     1.54992   113.44665  -170.30823
   66    65 S   HC   _H9_    58     1.09507   107.03213    68.87078
   67    61 S   OS   _O36    83     1.44350   107.41892   -51.74305
   68    65 S   CT   _C6_    59     1.56003   116.50505   -53.69700
   69    68 S   HC   _H3_    60     1.09554   107.79827    59.34502
   70    65 S   OH   _O35    81     1.43387   109.16889  -177.88715
   71    70 S   HO   _H24    82     0.97139   108.11060    54.97530
   72    67 S   CT   _C21    84     1.42105   113.36351   130.61016
   73    72 S   HC   _H25    85     1.09326   108.24946   178.97321
   74    72 S   HC   _H26    86     1.09310   111.08089    59.91095
   75    72 S   HC   _H27    87     1.09418   110.33928   -62.48640
   76    68 S   CT   _C7_    61     1.55696   111.58878   -59.79337
   77    76 S   HC   _H15    62     1.09664   109.32628    54.69676
   78    76 S   HC   _H16    63     1.09769   108.03816   -60.29440
   79    68 S   CT   _C5_    74     1.55274   110.94875   176.57280
   80    79 S   HC   _H13    75     1.09655   110.29857    67.39540
   81    79 S   HC   _H14    76     1.09405   109.67054  -175.55058
   82    76 S   CT   _C8_    64     1.55521   117.22116   177.87339
   83    82 S   HC   _H4_    65     1.09928   108.66128    52.42238
   84    79 S   CT   _C4_    77     1.52393   114.45811   -56.11596
   85    84 S   HC   _H10    78     1.09442   111.11544   -50.45555
   86    84 S   HC   _H11    79     1.09510   109.90142  -169.93090
   87    84 S   HC   _H12    80     1.09360   111.72784    71.29638
   88    82 S   CMA  _C9_    66     1.55207   113.82240   -69.25802
   89    88 S   OM   _O38    67     1.26331   111.15183    95.41179
   90    82 S   CT   _C23    70     1.54568   108.75264   163.61220
   91    90 S   HC   _H32    71     1.09500   112.22885    53.29289
   92    90 S   HC   _H33    72     1.09623   110.09397   -65.79832
   93    90 S   HC   _H34    73     1.09565   111.23192   175.31692
  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   8   5   4   3
  11   6   2   1   1  10   4   8   3   8   4  10   5   4   9   6
  10   4   2   1   1   8   4  10   5   4  11   6  16   7   3   1
  15   7   6  17   9   3   1   3   2   1   1  14   6   5   7   5
   4   7   6   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    88    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    82    88    89    40    41  
   38    39    42    88    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46    47    88    40    41  
   42    43    44    40  
   41    90    42    76    82    83    88    89  
   82    88    89  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    54    50    51    52    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    54    55    56    50    51    52    53  
   49    54    50    51    52    53  
   54    55    56    57    58    59    50    51    52    53  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    63  
   56    57    58    59  
   57    58    59    60    61    62    65    67    63    64  
   58    59    60    61    63  
   59    60    61    63  
   60    61    62    65    66    68    70    67    72    63    64  
   61    62    65    67    63    64  
   62    65    66    68    69    76    79    70    71    67    72    73    74    75    63    64  
   65    66    68    70    67    72    63  
   64    65    67  
    0  
   66    68    69    76    77    78    82    79    80    81    84    70    71    67    72  
   68    69    76    79    70    71    67  
   72    73    74    75    68    70  
   69    76    77    78    82    83    88    90    79    80    81    84    85    86    87    70    71  
   76    77    78    82    79    80    81    84    70  
   71    76    79  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77    78    82    83    88    89    90    91    92    93    79    80    81    84  
   78    82    83    88    90    79  
   82    83    88    90    79  
   80    81    84    85    86    87    82  
   81    84    85    86    87  
   84    85    86    87  
   83    88    89    90    91    92    93  
   88    89    90    91    92    93  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92    93  
   90  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   89   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   320.000  1.410
   47    50   268.000  1.529
   49    54   214.000  1.327
   54    55   570.000  1.229
   54    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    68   268.000  1.529
   65    70   320.000  1.410
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    88   270.000  1.512
   82    90   268.000  1.529
   88    89   745.000  1.250
   88    40   465.000  1.376
   40    41   340.000  1.080
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    71   553.000  0.945
   67    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    64   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    88    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    47    48    37.50000  110.70000
   44    47    49    50.00000  109.50000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    54    83.00000  116.90000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   49    47    48    35.00000  109.50000
   49    54    55    83.00000  123.40000
   49    54    56    81.00000  111.40000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    63.00000  111.10000
   56    54    55    80.00000  120.40000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    63    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    67    50.00000  109.50000
   59    63    64    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    65    70    50.00000  109.50000
   61    67    72    60.00000  109.50000
   65    61    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    76    58.35000  112.70000
   65    68    79    58.35000  112.70000
   65    70    71    55.00000  108.50000
   68    65    66    37.50000  110.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    82    58.35000  112.70000
   68    79    80    37.50000  110.70000
   68    79    81    37.50000  110.70000
   68    79    84    58.35000  112.70000
   76    68    69    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    88    70.00000  112.02700
   76    82    90    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    88    89    85.00000  112.85300
   82    88    40    65.00000  122.18000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    93    37.50000  110.70000
   88    82    83    45.00000  110.52000
   88    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    88    89    65.00000  137.10300
   90    82    83    37.50000  110.70000
   90    82    88    70.00000  112.02700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   79    68    69    37.50000  110.70000
   79    68    76    58.35000  112.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   81    79    80    33.00000  107.80000
   84    79    80    37.50000  110.70000
   84    79    81    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    68    50.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    65    50.00000  109.50000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    47    49    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    88   0.42700  1.0 1.0
   29    33    40    88  -0.70350 -1.0 2.0
   29    33    40    88  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    88   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   38    33    40    88  -0.28300  1.0 1.0
   38    33    40    88   0.26700 -1.0 2.0
   38    33    40    88  -0.63300  1.0 3.0
   38    33    40    41   0.00000  1.0 1.0
   38    42    44    45   0.00000  1.0 1.0
   38    42    44    46   0.00000  1.0 1.0
   38    42    44    47   0.09850  1.0 1.0
   38    42    44    47   0.15250 -1.0 2.0
   38    42    44    47  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.61850  1.0 1.0
   42    44    47    49  -0.22750 -1.0 2.0
   42    44    47    49   0.15300  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.33100  1.0 3.0
   43    42    44    47   0.00000  1.0 1.0
   44    47    49    54  -0.25900  1.0 1.0
   44    47    49    54  -0.47000 -1.0 2.0
   44    47    49    54   0.11750  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.15000  1.0 3.0
   44    47    50    53   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.23400  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.23400  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    49    54    55   3.00000 -1.0 2.0
   47    49    54    56   1.63150  1.0 1.0
   47    49    54    56   2.92000 -1.0 2.0
   48    47    49    54   0.08050  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.23400  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   49    54    56    57   0.00000  1.0 1.0
   49    54    56    58   0.00000  1.0 1.0
   49    54    56    59   0.36750  1.0 3.0
   54    56    59    60  -0.11250  1.0 3.0
   54    56    59    61  -0.95700  1.0 1.0
   54    56    59    61  -0.18200 -1.0 2.0
   54    56    59    61   0.29450  1.0 3.0
   54    56    59    63  -0.09450  1.0 1.0
   54    56    59    63  -1.12950 -1.0 2.0
   54    56    59    63   0.54000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    59   0.30150 -1.0 2.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    65   0.56750  1.0 1.0
   56    59    61    65  -0.07550 -1.0 2.0
   56    59    61    65   0.20000  1.0 3.0
   56    59    61    67   0.62750  1.0 1.0
   56    59    61    67  -0.30950 -1.0 2.0
   56    59    61    67   0.27300  1.0 3.0
   56    59    63    64  -0.11600  1.0 1.0
   56    59    63    64  -0.09450 -1.0 2.0
   56    59    63    64   0.21250  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    63   0.23400  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    63   0.23400  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    68   0.56750  1.0 1.0
   59    61    65    68  -0.07550 -1.0 2.0
   59    61    65    68   0.20000  1.0 3.0
   59    61    65    70   0.86500  1.0 1.0
   59    61    65    70  -0.17500 -1.0 2.0
   59    61    65    70   0.20800  1.0 3.0
   59    61    67    72   0.06250  1.0 1.0
   59    61    67    72  -0.01100 -1.0 2.0
   59    61    67    72   0.28050  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64  -0.11600  1.0 1.0
   61    59    63    64  -0.09450 -1.0 2.0
   61    59    63    64   0.21250  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    76   0.56750  1.0 1.0
   61    65    68    76  -0.07550 -1.0 2.0
   61    65    68    76   0.20000  1.0 3.0
   61    65    68    79   0.56750  1.0 1.0
   61    65    68    79  -0.07550 -1.0 2.0
   61    65    68    79   0.20000  1.0 3.0
   61    65    70    71  -0.11600  1.0 1.0
   61    65    70    71  -0.09450 -1.0 2.0
   61    65    70    71   0.21250  1.0 3.0
   61    67    72    73   0.37050  1.0 3.0
   61    67    72    74   0.37050  1.0 3.0
   61    67    72    75   0.37050  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    65    70   0.23400  1.0 3.0
   62    61    67    72   0.37050  1.0 3.0
   65    61    67    72   0.06250  1.0 1.0
   65    61    67    72  -0.01100 -1.0 2.0
   65    61    67    72   0.28050  1.0 3.0
   65    68    76    77   0.15000  1.0 3.0
   65    68    76    78   0.15000  1.0 3.0
   65    68    76    82   0.56750  1.0 1.0
   65    68    76    82  -0.07550 -1.0 2.0
   65    68    76    82   0.20000  1.0 3.0
   65    68    79    80   0.15000  1.0 3.0
   65    68    79    81   0.15000  1.0 3.0
   65    68    79    84   0.56750  1.0 1.0
   65    68    79    84  -0.07550 -1.0 2.0
   65    68    79    84   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    76   0.15000  1.0 3.0
   66    65    68    79   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   68    65    70    71  -0.11600  1.0 1.0
   68    65    70    71  -0.09450 -1.0 2.0
   68    65    70    71   0.21250  1.0 3.0
   68    76    82    83   0.15000  1.0 3.0
   68    76    82    88   0.34400  1.0 1.0
   68    76    82    88   0.09450 -1.0 2.0
   68    76    82    88   0.11100  1.0 3.0
   68    76    82    90   0.56750  1.0 1.0
   68    76    82    90  -0.07550 -1.0 2.0
   68    76    82    90   0.20000  1.0 3.0
   68    79    84    85   0.15000  1.0 3.0
   68    79    84    86   0.15000  1.0 3.0
   68    79    84    87   0.15000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    82   0.15000  1.0 3.0
   69    68    79    80   0.15000  1.0 3.0
   69    68    79    81   0.15000  1.0 3.0
   69    68    79    84   0.15000  1.0 3.0
   76    68    79    80   0.15000  1.0 3.0
   76    68    79    81   0.15000  1.0 3.0
   76    68    79    84   0.56750  1.0 1.0
   76    68    79    84  -0.07550 -1.0 2.0
   76    68    79    84   0.20000  1.0 3.0
   76    82    88    89   0.09700  1.0 1.0
   76    82    88    89   0.15600 -1.0 2.0
   76    82    88    89  -0.50800  1.0 3.0
   76    82    88    40   0.09850  1.0 1.0
   76    82    88    40   0.15250 -1.0 2.0
   76    82    88    40  -0.50650  1.0 3.0
   76    82    90    91   0.15000  1.0 3.0
   76    82    90    92   0.15000  1.0 3.0
   76    82    90    93   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    88   0.15000  1.0 3.0
   77    76    82    90   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    88   0.15000  1.0 3.0
   78    76    82    90   0.15000  1.0 3.0
   82    88    40    33   7.00000 -1.0 2.0
   82    88    40    41   7.00000 -1.0 2.0
   83    82    88    89   0.00000  1.0 1.0
   83    82    88    40   0.00000  1.0 1.0
   83    82    90    91   0.15000  1.0 3.0
   83    82    90    92   0.15000  1.0 3.0
   83    82    90    93   0.15000  1.0 3.0
   88    82    90    91   0.15000  1.0 3.0
   88    82    90    92   0.15000  1.0 3.0
   88    82    90    93   0.15000  1.0 3.0
   89    88    40    33   7.00000 -1.0 2.0
   89    88    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   90    82    88    89   0.09700  1.0 1.0
   90    82    88    89   0.15600 -1.0 2.0
   90    82    88    89  -0.50800  1.0 3.0
   90    82    88    40   0.09850  1.0 1.0
   90    82    88    40   0.15250 -1.0 2.0
   90    82    88    40  -0.50650  1.0 3.0
   79    68    76    77   0.15000  1.0 3.0
   79    68    76    78   0.15000  1.0 3.0
   79    68    76    82   0.56750  1.0 1.0
   79    68    76    82  -0.07550 -1.0 2.0
   79    68    76    82   0.20000  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.15000  1.0 3.0
   81    79    84    85   0.15000  1.0 3.0
   81    79    84    86   0.15000  1.0 3.0
   81    79    84    87   0.15000  1.0 3.0
   70    65    68    69   0.23400  1.0 3.0
   70    65    68    76   0.86500  1.0 1.0
   70    65    68    76  -0.17500 -1.0 2.0
   70    65    68    76   0.20800  1.0 3.0
   70    65    68    79   0.86500  1.0 1.0
   70    65    68    79  -0.17500 -1.0 2.0
   70    65    68    79   0.20800  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    68   0.62750  1.0 1.0
   67    61    65    68  -0.30950 -1.0 2.0
   67    61    65    68   0.27300  1.0 3.0
   67    61    65    70   3.69350  1.0 1.0
   67    61    65    70  -1.82950 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65   0.86500  1.0 1.0
   63    59    61    65  -0.17500 -1.0 2.0
   63    59    61    65   0.20800  1.0 3.0
   63    59    61    67   3.69350  1.0 1.0
   63    59    61    67  -1.82950 -1.0 2.0
   50    47    49    54  -0.25900  1.0 1.0
   50    47    49    54  -0.47000 -1.0 2.0
   50    47    49    54   0.11750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   49    56    54    55  10.50000 -1.0 2.0
   82    89    88    40   1.10000 -1.0 2.0
   33    41    40    88   1.10000 -1.0 2.0
END
