* LIGAND DATABASE FILE (OPLS2005)
*
001     101   100    181    248     513
    1     0 S   NP   _N1_     1    29.04127    91.98649   -20.89275
    2     1 S   H    _HN1     2     1.02966   102.53963    32.36828
    3     1 S   H    _H1_     3     1.02833    17.44517   139.12275
    4     1 S   H    _H2_     4     1.02768    94.11021   -77.53639
    5     1 S   CT   _CA1     5     1.50191   127.15588   160.27461
    6     5 S   HC   _HA1     6     1.09562   105.22134    52.46661
    7     5 S   CO3  _C1_     7     1.53835   112.42299   -67.68698
    8     7 S   O2Z  _O11     8     1.26364   114.97708   -37.16475
    9     7 S   O2Z  _O12     9     1.26236   114.98161   141.87754
   10     5 S   CT   _CB1    10     1.53046   107.34660   170.52630
   11    10 S   HC   HB11    11     1.09824   109.47103   -48.53169
   12    10 S   HC   HB12    12     1.09696   110.19182    67.93171
   13    10 S   CT   _CG1    13     1.52986   112.94586  -169.67530
   14    13 S   HC   HG11    14     1.09487   110.57492   -61.62321
   15    13 S   HC   HG12    15     1.09640   109.99814    57.59856
   16    13 S   C    _CD1    16     1.51811   112.18455   177.88511
   17    16 S   O    _OE1    17     1.22754   123.20552    -4.06520
   18    16 S   N    _N2_    18     1.38676   111.75706   176.20765
   19    18 S   H    _HN2    19     1.01593   119.10527     0.04423
   20    18 S   CT1  _CA2    20     1.46197   123.17072  -179.85735
   21    20 S   HC   _HA2    21     1.09611   108.91369   -14.90488
   22    20 S   C    _C2_    22     1.53415   108.65917  -130.10721
   23    22 S   O    _O2_    23     1.23019   122.15833  -147.96378
   24    20 S   CT   _CB2    32     1.53496   111.83553   107.42770
   25    24 S   HC   HB21    33     1.09654   109.59288    59.21043
   26    24 S   HC   HB22    34     1.09555   111.33564   176.98319
   27    22 S   N    _N3_    24     1.38488   113.40373    39.60347
   28    27 S   H    _HN3    25     1.01529   118.89756    -0.86094
   29    24 S   S    _SG2    35     1.82499   113.63686   -60.18631
   30    27 S   CT   _CA3    26     1.45451   123.50915   174.70295
   31    30 S   HC   HA31    27     1.09518   109.30315    23.21200
   32    30 S   HC   HA32    28     1.09495   107.11626   140.26246
   33    29 S   CT   _C23    36     1.81894   100.14546   -76.73602
   34    33 S   HC   _H27    37     1.09396   110.95689    27.71460
   35    33 S   HC   _H28    38     1.09206   108.65540   -89.47106
   36    30 S   CO3  _C3_    29     1.52931   113.03330  -100.28090
   37    36 S   O2Z  _O31    30     1.26409   115.38629   -44.21443
   38    36 S   O2Z  _O32    31     1.26348   114.98895   136.66339
   39    33 S   CM   _C22    39     1.49925   109.21372   146.94113
   40    39 S   HC   _H26    40     1.09039   113.86239   -81.93191
   41    39 S   CM   _C21    41     1.34796   128.32008    98.76544
   42    41 S   CT   _C24    42     1.50735   120.01959   179.06080
   43    42 S   HC   _H29    43     1.09429   110.64495   116.56733
   44    42 S   HC   _H30    44     1.09514   112.32253    -3.57522
   45    42 S   HC   _H31    45     1.09490   110.26106  -123.27918
   46    41 S   CT   _C20    46     1.51334   124.73679    -1.08426
   47    46 S   HC   _H24    47     1.09803   109.04001   136.34534
   48    46 S   HC   _H25    48     1.09501   111.13139    20.90719
   49    46 S   CT   _C19    49     1.53144   111.75688  -101.71619
   50    49 S   HC   _H22    50     1.09709   110.24649   -62.64841
   51    49 S   HC   _H23    51     1.09526   110.08358    53.46843
   52    49 S   CM   _C18    52     1.50467   111.70703   177.66821
   53    52 S   HC   _H21    53     1.08887   114.72698    77.11702
   54    52 S   CM   _C17    54     1.34760   126.64777  -104.94880
   55    54 S   CT   _C25    55     1.50438   120.83001  -177.51006
   56    55 S   HC   _H32    56     1.09472   110.33663   121.48215
   57    55 S   HC   _H33    57     1.09511   112.29079     1.46487
   58    55 S   HC   _H34    58     1.09487   110.30189  -118.58675
   59    54 S   CT   _C16    59     1.51199   123.67150     3.91717
   60    59 S   HC   _H19    60     1.09810   109.57276   146.75642
   61    59 S   HC   _H20    61     1.09704   109.67486    32.17980
   62    59 S   CT   _C15    62     1.53392   112.18340   -90.94157
   63    62 S   HC   _H17    63     1.09683   109.76202    52.81248
   64    62 S   HC   _H18    64     1.09422   108.89342   -64.54273
   65    62 S   CM   _C14    65     1.50289   111.11595   171.98974
   66    65 S   HC   _H16    66     1.08921   114.66906   -37.80246
   67    65 S   CM   _C13    67     1.34710   128.01380   144.62889
   68    67 S   CT   _C26    68     1.50278   124.92165    -0.24389
   69    68 S   HC   _H35    69     1.09459   110.45913   124.39866
   70    68 S   HC   _H36    70     1.09484   110.03515  -116.09380
   71    68 S   HC   _H37    71     1.09219   113.40004     4.62118
   72    67 S   CT   _C12    72     1.51854   119.63494   179.07571
   73    72 S   HC   _H14    73     1.09861   110.33428    23.49429
   74    72 S   HC   _H15    74     1.09755   108.83680   138.59701
   75    72 S   CT   _C11    75     1.53589   113.56624   -99.58708
   76    75 S   HC   _H12    76     1.09285   110.13545   -60.33636
   77    75 S   HC   _H13    77     1.09739   108.46496  -175.35223
   78    75 S   CM   _C10    78     1.50562   112.28217    65.96369
   79    78 S   HC   _H11    79     1.08985   113.81781    67.67899
   80    78 S   CM   _C9_    80     1.34794   128.24294  -110.93902
   81    80 S   CT   _C27    81     1.50412   124.91119    -1.57954
   82    81 S   HC   _H38    82     1.09445   110.41001   111.62300
   83    81 S   HC   _H39    83     1.09144   113.63583    -9.03818
   84    81 S   HC   _H40    84     1.09527   110.09010  -128.74257
   85    80 S   CT   _C8_    85     1.51771   119.86051   178.77523
   86    85 S   HC   _H9_    86     1.09743   108.86852   126.66583
   87    85 S   HC   _H10    87     1.09754   110.08715    11.14182
   88    85 S   CT   _C7_    88     1.53254   112.66627  -111.04927
   89    88 S   HC   _H7_    89     1.09714   109.96106    53.17381
   90    88 S   HC   _H8_    90     1.09413   110.64541   -62.94347
   91    88 S   CM   _C6_    91     1.50326   111.26547   172.68584
   92    91 S   HC   _H6_    92     1.08872   114.22595   -76.61703
   93    91 S   CM   _C5_    93     1.34607   127.78657   104.15134
   94    93 S   CT   _C4_    94     1.50507   120.46052   178.50289
   95    94 S   HC   _H3_    95     1.09498   110.27607   118.70493
   96    94 S   HC   _H4_    96     1.09519   112.40076    -1.38635
   97    94 S   HC   _H5_    97     1.09490   110.21514  -121.40495
   98    93 S   CT   _C28    98     1.50208   125.00547    -2.46355
   99    98 S   HC   _H41    99     1.09476   110.10242   113.77399
  100    98 S   HC   _H42   100     1.09233   113.45443    -7.38905
  101    98 S   HC   _H43   101     1.09546   110.04733  -126.89839
  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   6   5   4   3
   7   4   3   2   1   1  10   3  11   7   3   2   1   8   5   4
   7   4   3  10   3  11   7   3   2   1   8   5   4   7   4   3
  10   3  11   7   3   2   1   8   5   4   7   4   3  10   3  11
   7   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    46  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    46    47    48    49  
   44    45    46  
   45    46  
   46  
   47    48    49    50    51    52    53    54  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    59  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    59    60    61    62  
   54    55    59  
   55    56    57    58    59    60    61    62    63    64    65  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    72  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74    75  
   67    68    72  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    85  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85    86    87    88  
   80    81    85  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    98  
   90    91    92    93  
   91    92    93  
   92    93    94    95    96    97    98    99   100   101  
   93    94    98  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   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   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  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    46   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   317.000  1.510
   67    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   317.000  1.510
   80    85   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   317.000  1.510
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   317.000  1.510
   93    98   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    70.00000  124.00000
   39    41    46    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    70.00000  112.02700
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    41    42    65.00000  117.92700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    35.00000  117.00000
   49    52    54    70.00000  124.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    59    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    54    55    65.00000  117.92700
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    35.00000  117.00000
   62    65    67    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    70.00000  124.00000
   65    67    72    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  109.50000
   67    68    70    35.00000  109.50000
   67    68    71    35.00000  109.50000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    65.00000  117.92700
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    70.00000  112.02700
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    35.00000  117.00000
   75    78    80    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    70.00000  124.00000
   78    80    85    70.00000  124.00000
   80    78    79    35.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    70.00000  112.02700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    65.00000  117.92700
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    70.00000  112.02700
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    35.00000  117.00000
   88    91    93    70.00000  124.00000
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   91    93    94    70.00000  124.00000
   91    93    98    70.00000  124.00000
   93    91    92    35.00000  120.00000
   93    94    95    35.00000  109.50000
   93    94    96    35.00000  109.50000
   93    94    97    35.00000  109.50000
   93    98    99    35.00000  109.50000
   93    98   100    35.00000  109.50000
   93    98   101    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    93    94    65.00000  117.92700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    46   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    44   0.00000  1.0 1.0
   39    41    42    45   0.00000  1.0 1.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    48   0.00000  1.0 1.0
   39    41    46    49   0.09850  1.0 1.0
   39    41    46    49   0.15250 -1.0 2.0
   39    41    46    49  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    46   7.00000 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.31000  1.0 1.0
   41    46    49    52   0.14700 -1.0 2.0
   41    46    49    52   0.07550  1.0 3.0
   42    41    46    47   0.34800  1.0 3.0
   42    41    46    48   0.34800  1.0 3.0
   42    41    46    49   0.46850  1.0 1.0
   42    41    46    49   0.08550 -1.0 2.0
   42    41    46    49   0.09800  1.0 3.0
   46    41    42    43   0.34800  1.0 3.0
   46    41    42    44   0.34800  1.0 3.0
   46    41    42    45   0.34800  1.0 3.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    54   0.09850  1.0 1.0
   46    49    52    54   0.15250 -1.0 2.0
   46    49    52    54  -0.50650  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   7.00000 -1.0 2.0
   49    52    54    59   7.00000 -1.0 2.0
   50    49    52    53   0.33100  1.0 3.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.33100  1.0 3.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.00000  1.0 1.0
   52    54    55    58   0.00000  1.0 1.0
   52    54    59    60   0.00000  1.0 1.0
   52    54    59    61   0.00000  1.0 1.0
   52    54    59    62   0.09850  1.0 1.0
   52    54    59    62   0.15250 -1.0 2.0
   52    54    59    62  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    59   7.00000 -1.0 2.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.31000  1.0 1.0
   54    59    62    65   0.14700 -1.0 2.0
   54    59    62    65   0.07550  1.0 3.0
   55    54    59    60   0.34800  1.0 3.0
   55    54    59    61   0.34800  1.0 3.0
   55    54    59    62   0.46850  1.0 1.0
   55    54    59    62   0.08550 -1.0 2.0
   55    54    59    62   0.09800  1.0 3.0
   59    54    55    56   0.34800  1.0 3.0
   59    54    55    57   0.34800  1.0 3.0
   59    54    55    58   0.34800  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.09850  1.0 1.0
   59    62    65    67   0.15250 -1.0 2.0
   59    62    65    67  -0.50650  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    67    68   7.00000 -1.0 2.0
   62    65    67    72   7.00000 -1.0 2.0
   63    62    65    66   0.33100  1.0 3.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.33100  1.0 3.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    68    69   0.00000  1.0 1.0
   65    67    68    70   0.00000  1.0 1.0
   65    67    68    71   0.00000  1.0 1.0
   65    67    72    73   0.00000  1.0 1.0
   65    67    72    74   0.00000  1.0 1.0
   65    67    72    75   0.09850  1.0 1.0
   65    67    72    75   0.15250 -1.0 2.0
   65    67    72    75  -0.50650  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    72   7.00000 -1.0 2.0
   67    72    75    76   0.15000  1.0 3.0
   67    72    75    77   0.15000  1.0 3.0
   67    72    75    78   0.31000  1.0 1.0
   67    72    75    78   0.14700 -1.0 2.0
   67    72    75    78   0.07550  1.0 3.0
   68    67    72    73   0.34800  1.0 3.0
   68    67    72    74   0.34800  1.0 3.0
   68    67    72    75   0.46850  1.0 1.0
   68    67    72    75   0.08550 -1.0 2.0
   68    67    72    75   0.09800  1.0 3.0
   72    67    68    69   0.34800  1.0 3.0
   72    67    68    70   0.34800  1.0 3.0
   72    67    68    71   0.34800  1.0 3.0
   72    75    78    79   0.00000  1.0 1.0
   72    75    78    80   0.09850  1.0 1.0
   72    75    78    80   0.15250 -1.0 2.0
   72    75    78    80  -0.50650  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    80    81   7.00000 -1.0 2.0
   75    78    80    85   7.00000 -1.0 2.0
   76    75    78    79   0.33100  1.0 3.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.33100  1.0 3.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    81    82   0.00000  1.0 1.0
   78    80    81    83   0.00000  1.0 1.0
   78    80    81    84   0.00000  1.0 1.0
   78    80    85    86   0.00000  1.0 1.0
   78    80    85    87   0.00000  1.0 1.0
   78    80    85    88   0.09850  1.0 1.0
   78    80    85    88   0.15250 -1.0 2.0
   78    80    85    88  -0.50650  1.0 3.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    85   7.00000 -1.0 2.0
   80    85    88    89   0.15000  1.0 3.0
   80    85    88    90   0.15000  1.0 3.0
   80    85    88    91   0.31000  1.0 1.0
   80    85    88    91   0.14700 -1.0 2.0
   80    85    88    91   0.07550  1.0 3.0
   81    80    85    86   0.34800  1.0 3.0
   81    80    85    87   0.34800  1.0 3.0
   81    80    85    88   0.46850  1.0 1.0
   81    80    85    88   0.08550 -1.0 2.0
   81    80    85    88   0.09800  1.0 3.0
   85    80    81    82   0.34800  1.0 3.0
   85    80    81    83   0.34800  1.0 3.0
   85    80    81    84   0.34800  1.0 3.0
   85    88    91    92   0.00000  1.0 1.0
   85    88    91    93   0.09850  1.0 1.0
   85    88    91    93   0.15250 -1.0 2.0
   85    88    91    93  -0.50650  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   88    91    93    94   7.00000 -1.0 2.0
   88    91    93    98   7.00000 -1.0 2.0
   89    88    91    92   0.33100  1.0 3.0
   89    88    91    93   0.00000  1.0 1.0
   90    88    91    92   0.33100  1.0 3.0
   90    88    91    93   0.00000  1.0 1.0
   91    93    94    95   0.00000  1.0 1.0
   91    93    94    96   0.00000  1.0 1.0
   91    93    94    97   0.00000  1.0 1.0
   91    93    98    99   0.00000  1.0 1.0
   91    93    98   100   0.00000  1.0 1.0
   91    93    98   101   0.00000  1.0 1.0
   92    91    93    94   7.00000 -1.0 2.0
   92    91    93    98   7.00000 -1.0 2.0
   94    93    98    99   0.34800  1.0 3.0
   94    93    98   100   0.34800  1.0 3.0
   94    93    98   101   0.34800  1.0 3.0
   98    93    94    95   0.34800  1.0 3.0
   98    93    94    96   0.34800  1.0 3.0
   98    93    94    97   0.34800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    46    41    39  15.00000 -1.0 2.0
   49    53    52    54  15.00000 -1.0 2.0
   55    59    54    52  15.00000 -1.0 2.0
   62    66    65    67  15.00000 -1.0 2.0
   68    72    67    65  15.00000 -1.0 2.0
   75    79    78    80  15.00000 -1.0 2.0
   81    85    80    78  15.00000 -1.0 2.0
   88    92    91    93  15.00000 -1.0 2.0
   94    98    93    91  15.00000 -1.0 2.0
END
