* LIGAND DATABASE FILE (OPLS2005)
*
001      92    91    168    236     486
    1     0 S   NP   _N1_     1    28.78841    95.27109   -25.15173
    2     1 S   H    _HN1     2     1.02950    73.12338    22.80943
    3     1 S   H    _H1_     3     1.02829    34.94096  -171.24696
    4     1 S   H    _H2_     4     1.02785   111.62724   -80.70963
    5     1 S   CT   _CA1     5     1.50111   131.73183   125.38198
    6     5 S   HC   _HA1     6     1.09573   105.20232    92.42135
    7     5 S   CO3  _C1_     7     1.53789   112.44995   -27.82405
    8     7 S   O2Z  _O11     8     1.26372   115.00505   -42.83468
    9     7 S   O2Z  _O12     9     1.26239   114.94929   136.30459
   10     5 S   CT   _CB1    10     1.53081   107.42340  -149.59425
   11    10 S   HC   HB11    11     1.09832   109.38176   -49.76842
   12    10 S   HC   HB12    12     1.09813   110.44408    66.84133
   13    10 S   CT   _CG1    13     1.52987   112.59954  -170.74878
   14    13 S   HC   HG11    14     1.09585   110.62088   -65.32781
   15    13 S   HC   HG12    15     1.09670   109.80026    53.90103
   16    13 S   C    _CD1    16     1.51799   112.24344   174.35659
   17    16 S   O    _OE1    17     1.22728   123.29880     6.22768
   18    16 S   N    _N2_    18     1.38640   111.65175  -173.86614
   19    18 S   H    _HN2    19     1.01582   118.94632     1.74451
   20    18 S   CT1  _CA2    20     1.46214   123.42466   177.79726
   21    20 S   HC   _HA2    21     1.09733   109.40364     2.70660
   22    20 S   C    _C2_    22     1.53557   108.63407  -112.83983
   23    22 S   O    _O2_    23     1.23063   122.26641  -148.09823
   24    20 S   CT   _CB2    32     1.53417   111.45045   124.78515
   25    24 S   HC   HB21    33     1.09426   109.53234    56.61828
   26    24 S   HC   HB22    34     1.09451   109.84079   175.41683
   27    22 S   N    _N3_    24     1.38324   113.73047    39.35186
   28    27 S   H    _HN3    25     1.01584   119.59331    -3.31865
   29    24 S   S    _SG2    35     1.83079   111.17137   -65.30638
   30    27 S   CT   _CA3    26     1.45286   123.20057   177.13481
   31    30 S   HC   HA31    27     1.09549   107.50804   -64.63751
   32    30 S   HC   HA32    28     1.09557   107.98619    51.79853
   33    29 S   CT   _C16    36     1.86811   101.94542   164.72431
   34    30 S   CO3  _C3_    29     1.52958   114.08930   173.79938
   35    34 S   O2Z  _O31    30     1.26377   116.06957    -0.61070
   36    34 S   O2Z  _O32    31     1.26430   114.41043   179.44999
   37    33 S   CM   _C15    37     1.52041   107.28297   -68.46696
   38    37 S   HC   _H25    38     1.09059   115.45615   -62.99284
   39    33 S   CT   _C17    73     1.53898   109.17610    57.34084
   40    39 S   HC   _H26    74     1.09646   111.46528    58.72927
   41    39 S   HC   _H27    75     1.09598   111.28321   178.22150
   42    39 S   HC   _H28    76     1.09487   112.77422   -62.55636
   43    33 S   CT   _C18    77     1.54937   104.86119   174.94181
   44    43 S   HC   _H29    78     1.09906   111.29987   -61.39357
   45    43 S   HC   _H30    79     1.09965   111.55094    56.00792
   46    37 S   CM   _C14    39     1.34353   127.07008   118.72047
   47    46 S   HC   _H24    40     1.08552   120.22243    -2.03538
   48    43 S   CO4  _C19    80     1.51455   114.09129   176.07564
   49    48 S   O    _O34    81     1.22401   123.78257   -86.28299
   50    46 S   CT   _C13    41     1.50572   123.54421   177.76297
   51    50 S   HC   _H22    42     1.09724   108.15011   120.46186
   52    50 S   HC   _H23    43     1.09777   110.16871     5.11297
   53    48 S   OS   _O35    82     1.36296   110.19197    93.74741
   54    50 S   CT   _C5_    44     1.54757   114.41662  -117.46617
   55    54 S   HC   _H3_    45     1.09836   106.73518   176.82744
   56    53 S   CT   _C20    83     1.44254   117.22917  -179.88131
   57    56 S   HC   _H31    84     1.09670   110.29987   -35.14065
   58    54 S   CT   _C4_    46     1.53252   111.31882   -66.46178
   59    58 S   HC   _H4_    47     1.09480   111.74886    72.38425
   60    58 S   HC   _H5_    48     1.09453   111.01418  -167.19745
   61    58 S   HC   _H6_    49     1.09528   110.84854   -48.37785
   62    54 S   CT   _C6_    50     1.54215   110.97564    59.31362
   63    62 S   HC   _H7_    51     1.09532   109.53906   -64.92210
   64    62 S   HC   _H8_    52     1.09764   108.83069    51.55227
   65    56 S   CT   _C21    85     1.52354   109.36707    86.32769
   66    65 S   HC   _H32    86     1.09559   110.95483    57.04158
   67    65 S   HC   _H33    87     1.09428   111.23328   178.25348
   68    65 S   HC   _H34    88     1.09381   110.83887   -61.14109
   69    56 S   CT   _C22    89     1.52293   107.25992  -153.33955
   70    69 S   HC   _H35    90     1.09569   111.06928   -58.58593
   71    69 S   HC   _H36    91     1.09422   111.33417  -179.93439
   72    69 S   HC   _H37    92     1.09541   110.30840    59.44970
   73    62 S   CT   _C7_    53     1.53260   114.22791   173.29291
   74    73 S   HC   _H9_    54     1.09383   109.64550    61.64487
   75    73 S   HC   _H10    55     1.09512   109.09949   -56.20813
   76    73 S   CT   _C8_    56     1.53462   110.43603  -177.57311
   77    76 S   HC   _H11    57     1.09841   109.23055    61.69741
   78    76 S   HC   _H12    58     1.09743   108.05411   -52.36833
   79    76 S   CT   _C9_    59     1.54793   115.81605  -174.92545
   80    79 S   CT   _C10    60     1.53591   112.07941    64.85812
   81    80 S   HC   _H13    61     1.09526   111.42068    50.10023
   82    80 S   HC   _H14    62     1.09472   111.94645   -70.27752
   83    80 S   HC   _H15    63     1.09597   110.76517   168.90690
   84    79 S   CT   _C11    64     1.53681   110.84055   -56.57594
   85    84 S   HC   _H16    65     1.09616   110.73147   -55.18120
   86    84 S   HC   _H17    66     1.09427   112.45795    66.44220
   87    84 S   HC   _H18    67     1.09669   110.67889  -172.83527
   88    79 S   OS   _O33    68     1.44233   110.54446  -171.60604
   89    88 S   CT   _C12    69     1.41963   117.24536   -60.55794
   90    89 S   HC   _H19    70     1.09396   107.75406  -175.99806
   91    89 S   HC   _H20    71     1.09278   111.24481    66.33458
   92    89 S   HC   _H21    72     1.09242   111.72476   -57.78613
  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
  15   2   1   1  15   5   8   3   2   1   7   4   3   8   4   6
   2  12   5   4  10  12   8   9   8   7   3   2   1   9   5   4
   7   3   2   1   3   2   1   1   9   5   4  13   5   4  13   9
   4   3   2   5   3   2   1   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    53  
   35    36  
   36  
    0  
   38    46    47    50    51    52    54    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    53    56    46  
   45    48    49    53  
   48    49    53  
   47    50    51    52    54    55    58    62  
   50    51    52    54  
   49    53    56    57    65    69  
   53    56  
   51    52    54    55    58    59    60    61    62    63    64    73  
   52    54    55    58    62  
   54    55    58    62  
   56    57    65    66    67    68    69    70    71    72  
   55    58    59    60    61    62    63    64    73    74    75    76  
   58    59    60    61    62    63    64    73  
   57    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   59    60    61    62    63    64    73  
   60    61    62  
   61    62  
   62  
   63    64    73    74    75    76    77    78    79  
   64    73    74    75    76  
   73    74    75    76  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    84    88  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85    86    87    88    89  
   78    79    80    84    88  
   79    80    84    88  
   80    81    82    83    84    85    86    87    88    89    90    91    92  
   81    82    83    84    85    86    87    88    89  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89  
   86    87    88  
   87    88  
   88  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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  -0.115000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   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   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   268.000  1.529
   79    84   268.000  1.529
   79    88   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    53   214.000  1.327
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    65   268.000  1.529
   56    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    50    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    54    70.00000  112.02700
   50    46    47    35.00000  117.00000
   50    54    55    37.50000  110.70000
   50    54    58    58.35000  112.70000
   50    54    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    73    58.35000  112.70000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    58    58.35000  112.70000
   62    73    74    37.50000  110.70000
   62    73    75    37.50000  110.70000
   62    73    76    58.35000  112.70000
   64    62    63    33.00000  107.80000
   73    62    63    37.50000  110.70000
   73    62    64    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    58.35000  112.70000
   76    79    84    58.35000  112.70000
   76    79    88    50.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    80    81    37.50000  110.70000
   79    80    82    37.50000  110.70000
   79    80    83    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   79    88    89    60.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    79    80    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
   88    79    80    50.00000  109.50000
   88    79    84    50.00000  109.50000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    53    81.00000  111.40000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    56    83.00000  116.90000
   53    48    49    83.00000  123.40000
   53    56    57    35.00000  109.50000
   53    56    65    50.00000  109.50000
   53    56    69    50.00000  109.50000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    68    37.50000  110.70000
   56    69    70    37.50000  110.70000
   56    69    71    37.50000  110.70000
   56    69    72    37.50000  110.70000
   65    56    57    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    56    57    37.50000  110.70000
   69    56    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    50   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    53   0.36750  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    52   0.00000  1.0 1.0
   37    46    50    54   0.09850  1.0 1.0
   37    46    50    54   0.15250 -1.0 2.0
   37    46    50    54  -0.50650  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    50   7.00000 -1.0 2.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    58   0.34400  1.0 1.0
   46    50    54    58   0.09450 -1.0 2.0
   46    50    54    58   0.11100  1.0 3.0
   46    50    54    62   0.34400  1.0 1.0
   46    50    54    62   0.09450 -1.0 2.0
   46    50    54    62   0.11100  1.0 3.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    52   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54    58    61   0.15000  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    54    62    73   0.56750  1.0 1.0
   50    54    62    73  -0.07550 -1.0 2.0
   50    54    62    73   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    58   0.15000  1.0 3.0
   52    50    54    62   0.15000  1.0 3.0
   54    62    73    74   0.15000  1.0 3.0
   54    62    73    75   0.15000  1.0 3.0
   54    62    73    76   0.56750  1.0 1.0
   54    62    73    76  -0.07550 -1.0 2.0
   54    62    73    76   0.20000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    73   0.15000  1.0 3.0
   58    54    62    63   0.15000  1.0 3.0
   58    54    62    64   0.15000  1.0 3.0
   58    54    62    73   0.56750  1.0 1.0
   58    54    62    73  -0.07550 -1.0 2.0
   58    54    62    73   0.20000  1.0 3.0
   62    54    58    59   0.15000  1.0 3.0
   62    54    58    60   0.15000  1.0 3.0
   62    54    58    61   0.15000  1.0 3.0
   62    73    76    77   0.15000  1.0 3.0
   62    73    76    78   0.15000  1.0 3.0
   62    73    76    79   0.56750  1.0 1.0
   62    73    76    79  -0.07550 -1.0 2.0
   62    73    76    79   0.20000  1.0 3.0
   63    62    73    74   0.15000  1.0 3.0
   63    62    73    75   0.15000  1.0 3.0
   63    62    73    76   0.15000  1.0 3.0
   64    62    73    74   0.15000  1.0 3.0
   64    62    73    75   0.15000  1.0 3.0
   64    62    73    76   0.15000  1.0 3.0
   73    76    79    80   0.56750  1.0 1.0
   73    76    79    80  -0.07550 -1.0 2.0
   73    76    79    80   0.20000  1.0 3.0
   73    76    79    84   0.56750  1.0 1.0
   73    76    79    84  -0.07550 -1.0 2.0
   73    76    79    84   0.20000  1.0 3.0
   73    76    79    88   0.62750  1.0 1.0
   73    76    79    88  -0.30950 -1.0 2.0
   73    76    79    88   0.27300  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    80    81   0.15000  1.0 3.0
   76    79    80    82   0.15000  1.0 3.0
   76    79    80    83   0.15000  1.0 3.0
   76    79    84    85   0.15000  1.0 3.0
   76    79    84    86   0.15000  1.0 3.0
   76    79    84    87   0.15000  1.0 3.0
   76    79    88    89   0.06250  1.0 1.0
   76    79    88    89  -0.01100 -1.0 2.0
   76    79    88    89   0.28050  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    84   0.15000  1.0 3.0
   77    76    79    88   0.23400  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    84   0.15000  1.0 3.0
   78    76    79    88   0.23400  1.0 3.0
   79    88    89    90   0.37050  1.0 3.0
   79    88    89    91   0.37050  1.0 3.0
   79    88    89    92   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.15000  1.0 3.0
   80    79    88    89   0.06250  1.0 1.0
   80    79    88    89  -0.01100 -1.0 2.0
   80    79    88    89   0.28050  1.0 3.0
   84    79    80    81   0.15000  1.0 3.0
   84    79    80    82   0.15000  1.0 3.0
   84    79    80    83   0.15000  1.0 3.0
   84    79    88    89   0.06250  1.0 1.0
   84    79    88    89  -0.01100 -1.0 2.0
   84    79    88    89   0.28050  1.0 3.0
   88    79    80    81   0.23400  1.0 3.0
   88    79    80    82   0.23400  1.0 3.0
   88    79    80    83   0.23400  1.0 3.0
   88    79    84    85   0.23400  1.0 3.0
   88    79    84    86   0.23400  1.0 3.0
   88    79    84    87   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    53    56   1.63150  1.0 1.0
   43    48    53    56   2.92000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    56    57   0.08050  1.0 3.0
   48    53    56    65  -0.25900  1.0 1.0
   48    53    56    65  -0.47000 -1.0 2.0
   48    53    56    65   0.11750  1.0 3.0
   48    53    56    69  -0.25900  1.0 1.0
   48    53    56    69  -0.47000 -1.0 2.0
   48    53    56    69   0.11750  1.0 3.0
   49    48    53    56   3.00000 -1.0 2.0
   53    56    65    66   0.23400  1.0 3.0
   53    56    65    67   0.23400  1.0 3.0
   53    56    65    68   0.23400  1.0 3.0
   53    56    69    70   0.23400  1.0 3.0
   53    56    69    71   0.23400  1.0 3.0
   53    56    69    72   0.23400  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    68   0.15000  1.0 3.0
   57    56    69    70   0.15000  1.0 3.0
   57    56    69    71   0.15000  1.0 3.0
   57    56    69    72   0.15000  1.0 3.0
   65    56    69    70   0.15000  1.0 3.0
   65    56    69    71   0.15000  1.0 3.0
   65    56    69    72   0.15000  1.0 3.0
   69    56    65    66   0.15000  1.0 3.0
   69    56    65    67   0.15000  1.0 3.0
   69    56    65    68   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   50    47    46    37  15.00000 -1.0 2.0
   43    53    48    49  10.50000 -1.0 2.0
END
