* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    196    321     595
    1     0 S   NP   _N1_     1    28.67897    96.56913   -22.60683
    2     1 S   H    _HN1     2     1.02948    75.17009    17.47045
    3     1 S   H    _H1_     3     1.02828    38.86026   162.11947
    4     1 S   H    _H2_     4     1.02781    98.16740   -89.43079
    5     1 S   CT   _CA1     5     1.50170   144.37963   121.89240
    6     5 S   HC   _HA1     6     1.09579   105.17765    85.18614
    7     5 S   CO3  _C1_     7     1.53806   112.03440   -34.90881
    8     7 S   O2Z  _O11     8     1.26375   115.00748   -49.73680
    9     7 S   O2Z  _O12     9     1.26215   114.87065   128.77156
   10     5 S   CT   _CB1    10     1.53031   107.33041  -157.05139
   11    10 S   HC   HB11    11     1.09837   109.36064   -49.62671
   12    10 S   HC   HB12    12     1.09812   110.50367    66.94918
   13    10 S   CT   _CG1    13     1.52993   112.63336  -170.58512
   14    13 S   HC   HG11    14     1.09562   110.59608   -63.80760
   15    13 S   HC   HG12    15     1.09660   109.90973    55.39801
   16    13 S   C    _CD1    16     1.51845   112.01790   175.58314
   17    16 S   O    _OE1    17     1.22766   123.23565     1.28390
   18    16 S   N    _N2_    18     1.38592   111.80410  -178.39819
   19    18 S   H    _HN2    19     1.01623   118.99292     0.53814
   20    18 S   CT1  _CA2    20     1.46300   123.35701   179.15281
   21    20 S   HC   _HA2    21     1.09735   109.34496     1.76658
   22    20 S   C    _C2_    22     1.53473   108.96627  -113.91112
   23    22 S   O    _O2_    23     1.23077   122.21657  -149.46574
   24    20 S   CT   _CB2    32     1.53403   111.28439   123.60481
   25    24 S   HC   HB21    33     1.09324   109.14227    59.04402
   26    24 S   HC   HB22    34     1.09507   110.44399   177.29238
   27    22 S   N    _N3_    24     1.38324   113.76912    38.12666
   28    27 S   H    _HN3    25     1.01599   119.52248    -3.81588
   29    24 S   S    _SG2    35     1.83059   110.73584   -63.65716
   30    27 S   CT   _CA3    26     1.45277   123.14936   176.94290
   31    30 S   HC   HA31    27     1.09550   107.55357   -63.33699
   32    30 S   HC   HA32    28     1.09560   107.91272    53.06132
   33    29 S   CT   _C18    36     1.90614   102.58560   151.71935
   34    30 S   CO3  _C3_    29     1.52940   114.16015   175.05585
   35    34 S   O2Z  _O31    30     1.26365   116.09183     0.30710
   36    34 S   O2Z  _O32    31     1.26435   114.39763  -179.64890
   37    33 S   CM   _C4_    37     1.51586   103.55041   -63.83111
   38    37 S   HC   _H33    38     1.08973   116.68493    92.25005
   39    33 S   CT   _C10    54     1.54407   108.97915    56.40912
   40    39 S   HC   _H38    55     1.09655   111.63707   -56.68270
   41    39 S   HC   _H39    56     1.09778   109.98848  -172.15220
   42    37 S   CMA  _C5_    39     1.35125   125.28409   -88.87432
   43    42 S   OM   _O25    40     1.26323   128.22508  -177.45178
   44    42 S   CT   _C14    41     1.54747   119.51894    -0.78110
   45    44 S   HC   _H46    42     1.10231   106.93463  -121.25964
   46    44 S   CT   _C12    43     1.55863   116.06824    -3.97454
   47    46 S   HC   _H42    44     1.09703   110.07528    99.17827
   48    46 S   HC   _H43    45     1.09820   107.48063  -147.54199
   49    44 S   CT   _C24    96     1.54296   113.03254   121.28895
   50    49 S   HC   _H53    97     1.09558   111.11599   -60.53353
   51    49 S   HC   _H54    98     1.09580   110.58363   179.59506
   52    49 S   HC   _H55    99     1.09514   111.94834    60.30186
   53    33 S   CT   _C20    46     1.59178   113.49879   177.77727
   54    53 S   CT   _C22    47     1.58709   110.16080   -63.73420
   55    54 S   F    _F31    48     1.37993   106.90073    60.21786
   56    53 S   CT   _C25    92     1.56714   110.73885   174.61358
   57    56 S   HC   _H56    93     1.09208   112.92714    77.82897
   58    56 S   HC   _H57    94     1.09334   113.30762   -42.47511
   59    56 S   HC   _H58    95     1.09457   111.37789  -161.02235
   60    54 S   CT   _C16    49     1.56436   111.41081   -55.28499
   61    60 S   HC   _H48    50     1.09338   109.61556   -66.85917
   62    54 S   CT   _C17    70     1.55781   116.36778   174.96106
   63    62 S   HC   _H49    71     1.09615   108.48051   -61.67518
   64    60 S   CT   _C8_    51     1.53853   112.39870    51.29391
   65    64 S   HC   _H34    52     1.09709   109.37283  -171.20502
   66    64 S   HC   _H35    53     1.09623   110.05292    72.91751
   67    60 S   CT   _C15    57     1.53804   108.68162   174.41977
   68    67 S   HC   _H47    58     1.10206   106.10895   -59.31617
   69    62 S   OH   _O28    72     1.41831   112.55789    56.44486
   70    69 S   HO   _H64    73     0.97241   107.79697  -176.47774
   71    67 S   CT   _C9_    59     1.52488   118.77763  -178.08194
   72    71 S   HC   _H36    60     1.09489   111.94879    77.93418
   73    71 S   HC   _H37    61     1.09589   111.51687   -42.65089
   74    71 S   CT   _C11    62     1.54252   104.32942  -161.79909
   75    74 S   HC   _H40    63     1.09541   108.68777   129.06776
   76    74 S   HC   _H41    64     1.09625   109.94896  -113.30912
   77    74 S   CT   _C19    65     1.55077   106.63106     7.68332
   78    67 S   CT   _C21    66     1.54931   113.70933    59.88464
   79    77 S   CO4  _C6_    78     1.53376   113.95742   149.23984
   80    79 S   O    _O26    79     1.23226   121.39249  -144.11198
   81    77 S   OH   _O29    90     1.43058   107.14279   -96.15904
   82    81 S   HO   _H65    91     0.97249   108.31542   179.24749
   83    78 S   CT   _C13    67     1.54466   107.35536   -60.02931
   84    83 S   HC   _H44    68     1.09630   110.12087   -65.02341
   85    83 S   HC   _H45    69     1.09649   109.59248   177.86687
   86    78 S   CT   _C26    74     1.55610   112.89040    61.94179
   87    86 S   HC   _H59    75     1.09467   112.65868    71.79170
   88    86 S   HC   _H60    76     1.09142   113.27463   -48.64336
   89    86 S   HC   _H61    77     1.09528   110.93507  -168.58352
   90    79 S   CT   _C27    80     1.52161   117.25827    40.12321
   91    90 S   HC   _H62    81     1.09459   108.89837    51.37910
   92    90 S   HC   _H63    82     1.09367   109.07487   -70.27503
   93    90 S   OS   _O30    83     1.42957   108.86665   170.58992
   94    93 S   CO4  _C7_    84     1.36254   115.25705   179.86583
   95    94 S   O    _O27    85     1.22338   126.19218    -0.02798
   96    94 S   CT   _C23    86     1.49835   109.63144   179.98022
   97    96 S   HC   _H50    87     1.09289   109.83541   -60.93119
   98    96 S   HC   _H51    88     1.09381   109.35794  -179.97202
   99    96 S   HC   _H52    89     1.09289   109.83455    60.98588
  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
  23   2   1   1  14   5  13   6   5  11   4  11   8  15   5   4
   4   2   1   1  14  21   9   5   2   1   1  17   8  11   6   6
   2   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5
   4   1   6   2   1   3   2   1   1   6   3   2   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    53    54    64    39    40    41    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    53    54    55    60    64    65    66    39    40    41    62    56    57    58    59  
   35    36  
   36  
    0  
   38    42    43    44    45    46    53    54    64    39    40    41    56    49  
   42    43    44    53    39  
   40    41    67    56    42    46    53    54    60    61    64    65    66  
   41    53    60    64    65    66  
   53    60    64    65    66  
   43    44    45    46    47    48    53    49    50    51    52  
   44    45    46    49  
   45    46    47    48    53    54    56    49    50    51    52  
   46    47    48    53    49    50    51    52  
   47    48    53    54    55    60    62    56    57    58    59    49    50    51    52  
   48    53    54    56    49  
   53    54    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    60    61    64    67    83    62    63    69    56    57    58    59  
   55    60    61    64    65    66    67    68    71    78    83    84    85    62    63    69    70    56    57    58    59  
   60    61    64    67    83    62    63    69    56  
   57    58    59    60    62  
   58    59  
   59  
    0  
   61    64    65    66    67    68    71    72    73    74    77    78    83    62    63    69    86  
   64    65    66    67    68    71    78    62  
   63    69    70    86    64    67    77    78    83    84    85  
   69    70    78    83    84    85  
   65    66    67    68    71    78  
   66    67  
   67  
   68    71    72    73    74    75    76    77    78    83    84    85    86    87    88    89    79    81  
   71    72    73    74    77    78    83    86  
   70    78    83    84    85  
   83  
   72    73    74    75    76    77    78    83    86    79    81  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78    83    86    79    80    90    81    82  
   76    77    78    79    81  
   77    78    79    81  
   78    83    84    85    86    87    88    89    79    80    90    91    92    93    81    82  
   83    84    85    86    87    88    89    79    80    90    81    82  
   80    90    91    92    93    94    81    82    83    86  
   90    91    92    93    81  
   82    83    86    90  
    0  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94    95    96  
   92    93    94  
   93    94  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   367.000  1.332
   54    60   268.000  1.529
   54    62   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    78   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    79   317.000  1.522
   77    81   320.000  1.410
   78    83   268.000  1.529
   78    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    62   268.000  1.529
   62    63   340.000  1.090
   62    69   320.000  1.410
   69    70   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   79    80   570.000  1.229
   79    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   81    82   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    53    46    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    70.00000  112.02700
   42    44    49    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    53    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    53    54    58.35000  112.70000
   46    53    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    33    37    70.00000  112.02700
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    54    55    50.00000  109.50000
   53    54    60    58.35000  112.70000
   53    54    62    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    62    83    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    69    50.00000  109.50000
   60    54    55    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    39    58.35000  112.70000
   60    67    68    37.50000  110.70000
   60    67    71    58.35000  112.70000
   60    67    78    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   66    64    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    64    66    37.50000  110.70000
   41    39    40    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    64    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    58.35000  112.70000
   67    78    77    58.35000  112.70000
   67    78    83    58.35000  112.70000
   67    78    86    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    79    63.00000  111.10000
   74    77    81    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    83    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    79    80    80.00000  120.40000
   77    79    90    70.00000  116.00000
   77    81    82    55.00000  108.50000
   78    67    68    37.50000  110.70000
   78    67    71    58.35000  112.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    62    58.35000  112.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   83    62    63    37.50000  110.70000
   83    62    69    50.00000  109.50000
   85    83    84    33.00000  107.80000
   62    54    55    50.00000  109.50000
   62    54    60    58.35000  112.70000
   62    83    84    37.50000  110.70000
   62    83    85    37.50000  110.70000
   62    69    70    55.00000  108.50000
   69    62    63    35.00000  109.50000
   86    78    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   79    77    78    63.00000  111.10000
   79    90    91    35.00000  109.50000
   79    90    92    35.00000  109.50000
   79    90    93    90.00000  108.74100
   90    79    80    80.00000  120.40000
   90    93    94    83.00000  116.90000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    83.00000  123.40000
   93    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   96    94    95    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   81    77    78    50.00000  109.50000
   81    77    79    90.00000  109.61100
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
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   79    90    93    94   0.03650  1.0 3.0
   80    79    90    91   0.00000  1.0 1.0
   80    79    90    92   0.00000  1.0 1.0
   80    79    90    93   0.30150 -1.0 2.0
   90    93    94    95   3.00000 -1.0 2.0
   90    93    94    96   1.63150  1.0 1.0
   90    93    94    96   2.92000 -1.0 2.0
   91    90    93    94   0.08050  1.0 3.0
   92    90    93    94   0.08050  1.0 3.0
   93    94    96    97   0.00000  1.0 1.0
   93    94    96    98   0.00000  1.0 1.0
   93    94    96    99   0.00000  1.0 1.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.00000  1.0 1.0
   95    94    96    99   0.00000  1.0 1.0
   81    77    78    67   0.86500  1.0 1.0
   81    77    78    67  -0.17500 -1.0 2.0
   81    77    78    67   0.20800  1.0 3.0
   81    77    78    83   0.86500  1.0 1.0
   81    77    78    83  -0.17500 -1.0 2.0
   81    77    78    83   0.20800  1.0 3.0
   81    77    78    86   0.86500  1.0 1.0
   81    77    78    86  -0.17500 -1.0 2.0
   81    77    78    86   0.20800  1.0 3.0
   81    77    79    80   0.30150 -1.0 2.0
   81    77    79    90   0.55300  1.0 1.0
   81    77    79    90   1.25850 -1.0 2.0
   81    77    79    90  -0.23600  1.0 3.0
   56    53    54    55   0.39650  1.0 1.0
   56    53    54    55  -0.18350 -1.0 2.0
   56    53    54    55   0.41450  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    62   0.56750  1.0 1.0
   56    53    54    62  -0.07550 -1.0 2.0
   56    53    54    62   0.20000  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    53   0.56750  1.0 1.0
   49    44    46    53  -0.07550 -1.0 2.0
   49    44    46    53   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   77    90    79    80  10.50000 -1.0 2.0
   93    96    94    95  10.50000 -1.0 2.0
END
