* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    198    318     595
    1     0 S   NP   _N1_     1    28.55434    96.21114   -22.57021
    2     1 S   H    _HN1     2     1.02950    75.90297    14.66195
    3     1 S   H    _H1_     3     1.02828    37.82435   159.47736
    4     1 S   H    _H2_     4     1.02786    98.51465   -92.24413
    5     1 S   CT   _CA1     5     1.50113   143.55415   120.02994
    6     5 S   HC   _HA1     6     1.09574   105.19795    83.86579
    7     5 S   CO3  _C1_     7     1.53788   112.45323   -36.37376
    8     7 S   O2Z  _O11     8     1.26373   115.00626   -42.76824
    9     7 S   O2Z  _O12     9     1.26240   114.94738   136.35832
   10     5 S   CT   _CB1    10     1.53078   107.41922  -158.15354
   11    10 S   HC   HB11    11     1.09833   109.37491   -49.73825
   12    10 S   HC   HB12    12     1.09813   110.44754    66.87003
   13    10 S   CT   _CG1    13     1.52990   112.60392  -170.71638
   14    13 S   HC   HG11    14     1.09583   110.62615   -65.53633
   15    13 S   HC   HG12    15     1.09670   109.79230    53.69614
   16    13 S   C    _CD1    16     1.51799   112.22541   174.14998
   17    16 S   O    _OE1    17     1.22730   123.28224     6.69849
   18    16 S   N    _N2_    18     1.38649   111.66880  -173.39803
   19    18 S   H    _HN2    19     1.01577   118.93731     1.75703
   20    18 S   CT1  _CA2    20     1.46205   123.40122   177.60045
   21    20 S   HC   _HA2    21     1.09740   109.39694     2.65491
   22    20 S   C    _C2_    22     1.53558   108.46475  -112.80767
   23    22 S   O    _O2_    23     1.23051   122.33101  -146.79885
   24    20 S   CT   _CB2    32     1.53504   111.67095   124.67817
   25    24 S   HC   HB21    33     1.09520   109.49979    56.06414
   26    24 S   HC   HB22    34     1.09291   109.57952   174.70765
   27    22 S   N    _N3_    24     1.38341   113.66371    40.57654
   28    27 S   H    _HN3    25     1.01583   119.59345    -3.21327
   29    24 S   S    _SG2    35     1.83270   111.03369   -64.16634
   30    27 S   CT   _CA3    26     1.45282   123.19340   177.14830
   31    30 S   HC   HA31    27     1.09550   107.49902   -64.78549
   32    30 S   HC   HA32    28     1.09557   107.99732    51.65159
   33    29 S   CT   _C22    36     1.92199   103.19953  -168.75383
   34    30 S   CO3  _C3_    29     1.52955   114.08697   173.65155
   35    34 S   O2Z  _O31    30     1.26375   116.07470    -0.92746
   36    34 S   O2Z  _O32    31     1.26429   114.41014   179.13929
   37    33 S   CT   _C14    37     1.55418   106.62940   -43.48674
   38    37 S   HC   _H45    38     1.09710   110.33538    73.02085
   39    37 S   HC   _H46    39     1.09837   109.46234   -43.14347
   40    33 S   CT   _C15    73     1.58035   103.42191    76.87085
   41    40 S   HC   _H47    74     1.09349   107.99827   -41.66508
   42    37 S   CT   _C11    40     1.52882   117.16008  -163.91339
   43    42 S   HC   _H39    41     1.09808   107.84807   167.01537
   44    42 S   HC   _H40    42     1.09303   110.24369   -79.28471
   45    40 S   S    _S30    75     1.83686   119.43196  -159.71696
   46    42 S   CT   _C16    43     1.52980   114.45023    45.38778
   47    46 S   HC   _H48    44     1.09474   107.31183    71.23660
   48    45 S   CO4  _C6_    76     1.76240   100.89989   161.81461
   49    48 S   O    _O27    77     1.22448   122.73744   -41.64919
   50    46 S   CT   _C17    45     1.53405   110.64097  -170.57527
   51    50 S   HC   _H49    46     1.10326   106.63122    63.22714
   52    46 S   CT   _C18    62     1.55810   111.42496   -48.84729
   53    52 S   HC   _H50    63     1.09408   106.40689   -59.80495
   54    48 S   CT   _C23    78     1.50130   113.89751   139.96191
   55    54 S   HC   _H52    79     1.09362   110.30369   -58.37697
   56    54 S   HC   _H53    80     1.09414   109.25647  -177.21969
   57    54 S   HC   _H54    81     1.09338   110.19963    63.61639
   58    50 S   CT   _C9_    47     1.52659   118.96080   -56.36342
   59    58 S   HC   _H35    48     1.09477   112.00452    78.79773
   60    58 S   HC   _H36    49     1.09570   111.51273   -41.87458
   61    33 S   CT   _C20    64     1.60859   108.29521  -161.99052
   62    58 S   CT   _C12    50     1.53899   104.07663  -160.85465
   63    62 S   HC   _H41    51     1.09578   110.78208   129.91263
   64    62 S   HC   _H42    52     1.09575   110.64287  -111.66617
   65    61 S   CT   _C8_    65     1.55862   109.96250   -68.64901
   66    65 S   HC   _H33    66     1.09567   110.92362  -178.36338
   67    65 S   HC   _H34    67     1.09812   109.71785    66.67254
   68    61 S   CT   _C24    82     1.56385   111.84893    48.27483
   69    68 S   HC   _H55    83     1.09299   112.70878    51.50747
   70    68 S   HC   _H56    84     1.09509   112.24896   -69.50480
   71    68 S   HC   _H57    85     1.09336   111.91196   172.71476
   72    62 S   CT   _C19    53     1.54423   106.34952     7.85068
   73    72 S   HC   _H51    54     1.09905   109.91436   -95.66951
   74    65 S   CT   _C7_    68     1.51581   113.89959   -54.51149
   75    74 S   HC   _H31    69     1.09333   112.47563   -64.09752
   76    74 S   HC   _H32    70     1.09583   109.40163   176.75140
   77    50 S   CT   _C21    55     1.53866   112.98595  -177.92086
   78    74 S   CO4  _C4_    71     1.50619   109.50373    57.89978
   79    78 S   O    _O25    72     1.23211   120.81432   129.72133
   80    72 S   OS   _O28    90     1.43182   112.19314   142.22940
   81    77 S   CT   _C13    56     1.53221   107.80369   -62.78788
   82    81 S   HC   _H43    57     1.09786   110.12801   -63.11671
   83    81 S   HC   _H44    58     1.09668   110.68171   179.67195
   84    77 S   CT   _C25    86     1.54992   114.65518    59.58360
   85    84 S   HC   _H58    87     1.09458   112.43422    61.84894
   86    84 S   HC   _H59    88     1.09317   112.78275   -59.01253
   87    84 S   HC   _H60    89     1.09628   110.60400  -178.54303
   88    80 S   CO4  _C5_    91     1.36533   116.71812    76.16668
   89    88 S   O    _O26    92     1.22295   125.93930     0.20558
   90    81 S   CT   _C10    59     1.53901   111.47816    57.32551
   91    90 S   HC   _H37    60     1.09280   108.62241    72.06444
   92    90 S   HC   _H38    61     1.09561   106.96694  -173.65678
   93    88 S   CT   _C27    93     1.51042   108.81791  -179.78786
   94    93 S   HC   _H64    94     1.09512   108.45070   -59.41612
   95    93 S   HC   _H65    95     1.09515   108.44531    58.98490
   96    93 S   CT   _C26    96     1.51857   112.10068   179.76761
   97    96 S   HC   _H61    97     1.09509   111.04260   -59.93194
   98    96 S   HC   _H62    98     1.09509   111.04457    59.99282
   99    96 S   HC   _H63    99     1.09431   110.39185  -179.96574
  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  13   5   4   3
  25   2   1   1  16   7   6  15   6  12   5   4  10  19   8   6
   4  22   9  18   7   3   2   1   1  11   6   5  15   9   5   4
  12   6   5   5   2   1   1  14   5   4   3   2  12   1   1   8
   9   5   4   4   2   1   1   8   4   2   1   1   6   5   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    61    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    52    61    65    78    40    41    45    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    46    90    52    53    61    65    66    67    74    78    79    40    41    45    48    68    69    70    71  
   35    36  
   36  
    0  
   38    39    42    43    44    46    47    50    52    61    65    78    40    41    45    68  
   39    42    43    44    46    61    40  
   42    43    44    46    61    40  
   41    45    48    49    54    68    42    52    61    65    74    75    76    78    79  
   45    48    61    74    78    79  
   43    44    46    47    50    51    58    77    90    52    53    61  
   44    46    47    50    52  
   46    47    50    52  
   48    49    54    55    56    57    61    74    78    79  
   47    50    51    58    59    60    62    72    77    81    90    91    92    52    53    61    65    68    84  
   50    51    58    77    90    52    53    61  
   49    54    55    56    57    78  
   54    55    56    57  
   51    58    59    60    62    63    64    72    73    77    81    82    83    90    52    53    61    84    85    86    87    80  
   58    59    60    62    72    77    81    52    84  
   53    61    65    66    67    74    68    69    70    71    58    77    81    82    83    90    91    92  
   61    65    68    81    90    91    92  
   55    56    57  
   56    57  
   57  
    0  
   59    60    62    63    64    72    73    77    81    84    80  
   60    62    63    64    72    77  
   62    63    64    72    77  
   65    66    67    74    75    76    78    68    69    70    71    81    90    91    92  
   63    64    72    73    77    81    84    80    88  
   64    72    73    77    80  
   72    73    77    80  
   66    67    74    75    76    78    79    68    69    70    71    90  
   67    74    75    76    78    68  
   74    75    76    78    68  
   69    70    71    74    90  
   70    71  
   71  
    0  
   73    77    81    82    83    90    84    85    86    87    80    88    89    93  
   77    81    84    80    88  
   75    76    78    79  
   76    78    79  
   78    79  
   81    82    83    90    91    92    84    85    86    87    80    88  
   79  
    0  
   88    89    93    94    95    96    81    84  
   82    83    90    91    92    84    85    86    87  
   83    90    91    92    84  
   90    91    92    84  
   85    86    87    90  
   86    87  
   87  
    0  
   89    93    94    95    96    97    98    99  
   93    94    95    96  
   91    92  
   92  
    0  
   94    95    96    97    98    99  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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  -0.120000   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   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   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   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    61   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    77   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    72   268.000  1.529
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    80   320.000  1.410
   77    81   268.000  1.529
   77    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    52   268.000  1.529
   52    53   340.000  1.090
   52    61   268.000  1.529
   61    65   268.000  1.529
   61    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   317.000  1.522
   78    79   570.000  1.229
   78    40   317.000  1.522
   40    41   340.000  1.090
   40    45   222.000  1.810
   45    48   210.000  1.799
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    88   214.000  1.327
   88    89   570.000  1.229
   88    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   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    61    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    61    52    58.35000  112.70000
   33    61    65    58.35000  112.70000
   33    61    68    58.35000  112.70000
   33    40    78    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    45    75.00000  111.63000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    46    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    50    58.35000  112.70000
   42    46    52    58.35000  112.70000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    77    58.35000  112.70000
   46    52    90    58.35000  112.70000
   46    52    53    37.50000  110.70000
   46    52    61    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    58.35000  112.70000
   50    77    72    58.35000  112.70000
   50    77    81    58.35000  112.70000
   50    77    84    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    72    73    37.50000  110.70000
   62    72    77    58.35000  112.70000
   62    72    80    50.00000  109.50000
   64    62    63    33.00000  107.80000
   72    62    63    37.50000  110.70000
   72    62    64    37.50000  110.70000
   72    77    81    58.35000  112.70000
   72    77    84    58.35000  112.70000
   72    80    88    83.00000  116.90000
   77    50    51    37.50000  110.70000
   77    50    58    58.35000  112.70000
   77    72    73    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    90    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   81    90    91    37.50000  110.70000
   81    90    92    37.50000  110.70000
   81    90    52    58.35000  112.70000
   83    81    82    33.00000  107.80000
   90    81    82    37.50000  110.70000
   90    81    83    37.50000  110.70000
   90    52    53    37.50000  110.70000
   90    52    61    58.35000  112.70000
   92    90    91    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    50    58.35000  112.70000
   52    90    91    37.50000  110.70000
   52    90    92    37.50000  110.70000
   52    61    65    58.35000  112.70000
   52    61    68    58.35000  112.70000
   61    33    37    58.35000  112.70000
   61    52    53    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    74    58.35000  112.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    78    63.00000  111.10000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    78    79    80.00000  120.40000
   74    78    40    70.00000  116.00000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    40    41    35.00000  109.50000
   78    40    45    75.00000  110.18000
   40    33    37    58.35000  112.70000
   40    33    61    58.35000  112.70000
   40    78    79    80.00000  120.40000
   40    45    48    90.00000   96.72000
   45    40    41    35.00000  109.50000
   45    48    49    80.00000  121.30200
   45    48    54    70.00000  114.16300
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   54    48    49    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   68    61    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   84    77    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    77    50.00000  109.50000
   80    88    89    83.00000  123.40000
   80    88    93    81.00000  111.40000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    63.00000  111.10000
   93    88    89    80.00000  120.40000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
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   40    45    48    49  -0.11550  1.0 1.0
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   40    45    48    54  -0.11550  1.0 1.0
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   68    61    65    74  -0.07550 -1.0 2.0
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   84    77    81    83   0.15000  1.0 3.0
   84    77    81    90   0.56750  1.0 1.0
   84    77    81    90  -0.07550 -1.0 2.0
   84    77    81    90   0.20000  1.0 3.0
   80    72    77    50   0.62750  1.0 1.0
   80    72    77    50  -0.30950 -1.0 2.0
   80    72    77    50   0.27300  1.0 3.0
   80    72    77    81   0.62750  1.0 1.0
   80    72    77    81  -0.30950 -1.0 2.0
   80    72    77    81   0.27300  1.0 3.0
   80    72    77    84   0.62750  1.0 1.0
   80    72    77    84  -0.30950 -1.0 2.0
   80    72    77    84   0.27300  1.0 3.0
   80    88    93    94   0.00000  1.0 1.0
   80    88    93    95   0.00000  1.0 1.0
   80    88    93    96   0.36750  1.0 3.0
   88    93    96    97  -0.11250  1.0 3.0
   88    93    96    98  -0.11250  1.0 3.0
   88    93    96    99  -0.11250  1.0 3.0
   89    88    93    94   0.00000  1.0 1.0
   89    88    93    95   0.00000  1.0 1.0
   89    88    93    96   0.30150 -1.0 2.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   74    40    78    79  10.50000 -1.0 2.0
   45    54    48    49  10.50000 -1.0 2.0
   80    93    88    89  10.50000 -1.0 2.0
END
