* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    157    235     451
    1     0 S   NP   _N1_     1    30.06917   103.29299   -19.22483
    2     1 S   H    _HN1     2     1.02777    87.59273   -91.21545
    3     1 S   H    _H1_     3     1.02952    43.33559    29.08872
    4     1 S   H    _H2_     4     1.02833    78.30603   159.93130
    5     1 S   CT   _CA1     5     1.50162   152.75213    47.18606
    6     5 S   HC   _HA1     6     1.09579   105.11326   164.15027
    7     5 S   CO3  _C1_     7     1.53617   112.59668    44.18079
    8     7 S   O2Z  _O11     8     1.26368   115.02453   -37.89312
    9     7 S   O2Z  _O12     9     1.26213   114.95047   141.18443
   10     5 S   CT   _CB1    10     1.53076   107.42314   -77.97713
   11    10 S   HC   HB11    11     1.09827   108.95397   -50.32986
   12    10 S   HC   HB12    12     1.09811   110.52427    66.11234
   13    10 S   CT   _CG1    13     1.53072   112.89059  -171.47368
   14    13 S   HC   HG11    14     1.09524   110.65607   -70.84197
   15    13 S   HC   HG12    15     1.09681   109.81663    48.35091
   16    13 S   C    _CD1    16     1.51866   112.24215   168.36412
   17    16 S   O    _OE1    17     1.22763   123.26914     4.93935
   18    16 S   N    _N2_    18     1.38549   111.77049  -174.38138
   19    18 S   H    _HN2    19     1.01583   118.96945     1.38677
   20    18 S   CT1  _CA2    20     1.45841   122.72248   172.64411
   21    20 S   HC   _HA2    21     1.09717   109.11400    26.48153
   22    20 S   C    _C2_    22     1.53040   106.58567   -90.30361
   23    22 S   O    _O2_    23     1.22989   123.08690   -27.68295
   24    20 S   CT   _CB2    32     1.53044   112.16216   150.49666
   25    24 S   HC   HB21    33     1.09529   109.85483    47.54489
   26    24 S   HC   HB22    34     1.09499   110.22823   166.36670
   27    22 S   N    _N3_    24     1.38517   112.56426   155.01011
   28    27 S   H    _HN3    25     1.01657   120.33737    -1.99929
   29    24 S   S    _SG2    35     1.82649   111.14773   -74.45356
   30    27 S   CT   _CA3    26     1.45348   122.46215   178.61238
   31    30 S   HC   HA31    27     1.09569   107.77606   -56.18124
   32    30 S   HC   HA32    28     1.09563   107.63382    60.13757
   33    29 S   CT   _C26    36     1.85079   100.79922   158.77688
   34    33 S   OM   _O24    37     1.31921   110.28291   172.45272
   35    30 S   CO3  _C3_    29     1.52884   114.35868  -178.10184
   36    35 S   O2Z  _O31    30     1.26331   116.07959    -1.06275
   37    35 S   O2Z  _O32    31     1.26439   114.40252   178.91754
   38    33 S   CT   _C24    38     1.54628   108.54796    57.26047
   39    38 S   HC   _H49    39     1.09648   111.70608   -67.96765
   40    38 S   HC   _H50    40     1.10022   111.21732   175.72703
   41    38 S   HC   _H51    41     1.09813   113.19212    54.75457
   42    33 S   OS   _O28    42     1.44804   113.50361   -58.72063
   43    42 S   CA   _C15    43     1.36776   123.44657   -58.31970
   44    43 S   CA   _C9_    44     1.39465   114.69087   164.27622
   45    44 S   HA   _H35    45     1.08769   120.00588    -1.26903
   46    44 S   CA   _C6_    46     1.40016   120.90620   178.42132
   47    46 S   HA   _H32    47     1.08612   117.10891  -179.72164
   48    46 S   CA   _C12    48     1.40242   121.28090    -0.34774
   49    48 S   CA   _C13    49     1.39699   117.14158     0.77582
   50    43 S   CA   _C10    50     1.39103   126.88748   -17.51138
   51    50 S   HA   _H36    51     1.08482   121.73000     0.78360
   52    49 S   OS   _O26    52     1.36596   123.02205  -177.83979
   53    52 S   CT   _C19    53     1.44435   117.39816   -22.99111
   54    53 S   CM   _C16    54     1.53131   113.32238    32.77211
   55    53 S   CT   _C21    80     1.54069   103.31975   155.40639
   56    55 S   HC   _H40    81     1.09714   110.68610    51.56128
   57    55 S   HC   _H41    82     1.09652   110.88904   -65.82551
   58    55 S   HC   _H42    83     1.09488   112.65249   172.04039
   59    53 S   CT   _C22    84     1.53825   106.73571   -90.19095
   60    59 S   HC   _H43    85     1.09656   110.80583   -48.93309
   61    59 S   HC   _H44    86     1.09423   112.19110  -169.72724
   62    59 S   HC   _H45    87     1.09516   111.10182    68.87470
   63    54 S   CA   _C11    55     1.48043   117.15232   158.60679
   64    48 S   CM   _C17    72     1.48242   123.42134  -176.84936
   65    63 S   CA   _C4_    56     1.40290   120.48561    85.91816
   66    65 S   HA   _H30    57     1.08703   120.56766    -0.38563
   67    64 S   CT   _C25    73     1.51835   118.88242     9.39647
   68    67 S   HC   _H52    74     1.09660   110.46589    36.74913
   69    67 S   HC   _H53    75     1.09556   111.14669   151.31991
   70    65 S   CA   _C7_    58     1.39434   120.44244   179.37224
   71    70 S   HA   _H33    59     1.08566   120.02946   179.59749
   72    67 S   CT   _C23    76     1.52440   112.99119   -86.88726
   73    72 S   HC   _H46    77     1.09412   111.24087   -63.39794
   74    72 S   HC   _H47    78     1.09488   109.94212   177.48129
   75    72 S   HC   _H48    79     1.09402   112.11290    57.53630
   76    70 S   CA   _C14    60     1.39310   119.14732    -0.74283
   77    76 S   CA   _C8_    61     1.39332   121.47656     1.28329
   78    77 S   HA   _H34    62     1.08556   120.78119   178.98760
   79    76 S   OS   _O27    65     1.39638   119.10752   178.43389
   80    63 S   CA   _C5_    63     1.40523   120.11649   -94.98796
   81    80 S   HA   _H31    64     1.08760   120.41946     0.69041
   82    79 S   CO4  _C18    66     1.39013   112.78296    93.39721
   83    82 S   O    _O25    67     1.22379   127.15248     0.09487
   84    82 S   CT   _C20    68     1.49996   108.65855  -179.92087
   85    84 S   HC   _H37    69     1.09286   109.82541   -61.01693
   86    84 S   HC   _H38    70     1.09379   109.32431   179.95577
   87    84 S   HC   _H39    71     1.09286   109.82623    60.93373
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  12
   9   4   1  12  14  20   9   3   2   1   5   2   1   1  11   9
   8   4   6   5   4   7   3   3   2   1   1   8   5   3   7   1
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    64  
   46    47    48    50  
   47    48    49    50    52    54    64    67  
   48    49    64  
   49    50    51    52    53    54    63    64    67    68    69    72  
   50    51    52    53    54    64    67    55    59  
   51    52    53    64  
   52  
   53    54    63    64    55    56    57    58    59    60    61    62  
   54    63    65    80    64    67    55    56    57    58    59    60    61    62  
   63    65    66    70    77    80    81    64    67    68    69    72    55    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62    63    64  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64  
   61    62  
   62  
    0  
   65    66    70    71    76    77    78    80    81    64    67  
   67    68    69    72    73    74    75    65    80  
   66    70    71    76    77    80    81    79  
   70    71    76    80  
   68    69    72    73    74    75  
   69    72    73    74    75  
   72    73    74    75  
   71    76    77    78    80    79    82  
   76    77    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    80    81    79    82    83    84  
   78    80    81    79    82  
   80    81    79  
   82    83    84    85    86    87    80  
   81  
    0  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.069000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    64   320.000  1.460
   49    50   469.000  1.400
   49    52   450.000  1.364
   50    51   367.000  1.080
   52    53   320.000  1.410
   53    54   317.000  1.510
   53    55   268.000  1.529
   53    59   268.000  1.529
   54    63   320.000  1.460
   54    64   549.000  1.340
   63    65   469.000  1.400
   63    80   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    80   469.000  1.400
   80    81   367.000  1.080
   79    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   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   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    64    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    52    70.00000  120.00000
   48    64    54    60.00000  123.20500
   48    64    67    65.00000  118.87000
   49    50    51    35.00000  120.00000
   49    52    53    75.00000  111.00000
   50    43    44    63.00000  120.00000
   52    49    50    70.00000  120.00000
   52    53    54    85.00000  110.90400
   52    53    55    50.00000  109.50000
   52    53    59    50.00000  109.50000
   53    54    63    60.00000  124.00000
   53    54    64    70.00000  124.00000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   54    63    65    60.00000  118.70000
   54    63    80    60.00000  118.70000
   54    64    67    70.00000  124.00000
   63    65    66    35.00000  120.00000
   63    65    70    63.00000  120.00000
   63    80    77    63.00000  120.00000
   63    80    81    35.00000  120.00000
   65    70    71    35.00000  120.00000
   65    70    76    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    76    77    63.00000  120.00000
   70    76    79    70.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    80    63.00000  120.00000
   76    79    82    85.00000  115.98000
   77    80    81    35.00000  120.00000
   80    63    65    63.00000  120.00000
   80    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
   79    82    83    83.00000  123.40000
   79    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   64    48    49    60.00000  120.93500
   64    54    63    60.00000  123.66000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    72    70.00000  112.02700
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   55    53    54    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    53    54    70.00000  112.02700
   59    53    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    51   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    64   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    64    54   0.15800  1.0 1.0
   46    48    64    54   1.85350 -1.0 2.0
   46    48    64    54  -0.48700  1.0 3.0
   46    48    64    67  -0.02500  1.0 1.0
   46    48    64    67  -0.32150 -1.0 2.0
   46    48    64    67  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    64   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49    52    53   1.63200 -1.0 2.0
   48    64    67    68   0.77000  1.0 3.0
   48    64    67    69   0.77000  1.0 3.0
   48    64    67    72  -0.01700  1.0 1.0
   48    64    67    72   0.06550 -1.0 2.0
   48    64    67    72  -0.91500  1.0 3.0
   49    48    64    54   0.15800  1.0 1.0
   49    48    64    54   1.85350 -1.0 2.0
   49    48    64    54  -0.48700  1.0 3.0
   49    48    64    67  -0.02500  1.0 1.0
   49    48    64    67  -0.32150 -1.0 2.0
   49    48    64    67  -0.01500  1.0 3.0
   49    52   -53    54  -0.25600  1.0 1.0
   49    52   -53    54  -0.40050 -1.0 2.0
   49    52   -53    54   0.34700  1.0 3.0
   49    52    53    55  -0.32850  1.0 1.0
   49    52    53    55  -0.35800 -1.0 2.0
   49    52    53    55   0.33950  1.0 3.0
   49    52    53    59  -0.32850  1.0 1.0
   49    52    53    59  -0.35800 -1.0 2.0
   49    52    53    59   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   1.63200 -1.0 2.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    54    63   0.09700  1.0 1.0
   52    53    54    63   0.15600 -1.0 2.0
   52    53    54    63  -0.50800  1.0 3.0
   52    53    54    64   0.39000  1.0 1.0
   52    53    54    64  -0.05800 -1.0 2.0
   52    53    54    64  -0.55150  1.0 3.0
   52    53    55    56   0.23400  1.0 3.0
   52    53    55    57   0.23400  1.0 3.0
   52    53    55    58   0.23400  1.0 3.0
   52    53    59    60   0.23400  1.0 3.0
   52    53    59    61   0.23400  1.0 3.0
   52    53    59    62   0.23400  1.0 3.0
   53    54    63    65  -0.02500  1.0 1.0
   53    54    63    65  -0.32150 -1.0 2.0
   53    54    63    65  -0.01500  1.0 3.0
   53    54    63    80  -0.02500  1.0 1.0
   53    54    63    80  -0.32150 -1.0 2.0
   53    54    63    80  -0.01500  1.0 3.0
   53    54   -64    48   7.00000 -1.0 2.0
   53    54    64    67   7.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    63    65    66   3.62500 -1.0 2.0
   54    63    65    70   3.62500 -1.0 2.0
   54    63    80    77   3.62500 -1.0 2.0
   54    63    80    81   3.62500 -1.0 2.0
   54    64    67    68   0.00000  1.0 1.0
   54    64    67    69   0.00000  1.0 1.0
   54    64    67    72   0.09850  1.0 1.0
   54    64    67    72   0.15250 -1.0 2.0
   54    64    67    72  -0.50650  1.0 3.0
   63    54    64    48   7.00000 -1.0 2.0
   63    54    64    67   7.00000 -1.0 2.0
   63    65    70    71   3.62500 -1.0 2.0
   63    65    70    76   3.62500 -1.0 2.0
   65    63    80    77   3.62500 -1.0 2.0
   65    63    80    81   3.62500 -1.0 2.0
   65    70   -76    77   3.62500 -1.0 2.0
   65    70    76    79   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   66    65    70    76   3.62500 -1.0 2.0
   70    76    77    78   3.62500 -1.0 2.0
   70    76    77    80   3.62500 -1.0 2.0
   70    76    79    82   0.01300  1.0 1.0
   70    76    79    82   0.97950 -1.0 2.0
   70    76    79    82  -0.55700  1.0 3.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    79   3.62500 -1.0 2.0
   76    77   -80    63   3.62500 -1.0 2.0
   76    77    80    81   3.62500 -1.0 2.0
   76    79    82    83   3.00000 -1.0 2.0
   76    79    82    84   0.75600  1.0 1.0
   76    79    82    84   1.63000 -1.0 2.0
   77    76    79    82   0.01300  1.0 1.0
   77    76    79    82   0.97950 -1.0 2.0
   77    76    79    82  -0.55700  1.0 3.0
   78    77    80    63   3.62500 -1.0 2.0
   78    77    80    81   3.62500 -1.0 2.0
   80    63    65    66   3.62500 -1.0 2.0
   80    63   -65    70   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    80   3.62500 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   64    48    49    50   3.62500 -1.0 2.0
   64    48   -49    52   3.62500 -1.0 2.0
   64    54    63    65   0.15800  1.0 1.0
   64    54    63    65   1.85350 -1.0 2.0
   64    54    63    65  -0.48700  1.0 3.0
   64    54    63    80   0.15800  1.0 1.0
   64    54    63    80   1.85350 -1.0 2.0
   64    54    63    80  -0.48700  1.0 3.0
   64    67    72    73   0.15000  1.0 3.0
   64    67    72    74   0.15000  1.0 3.0
   64    67    72    75   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   55    53    54    63  -0.01700  1.0 1.0
   55    53    54    63   0.06550 -1.0 2.0
   55    53    54    63  -0.91500  1.0 3.0
   55    53    54    64   0.09850  1.0 1.0
   55    53    54    64   0.15250 -1.0 2.0
   55    53    54    64  -0.50650  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   59    53    54    63  -0.01700  1.0 1.0
   59    53    54    63   0.06550 -1.0 2.0
   59    53    54    63  -0.91500  1.0 3.0
   59    53    54    64   0.09850  1.0 1.0
   59    53    54    64   0.15250 -1.0 2.0
   59    53    54    64  -0.50650  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    58   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    64    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   53    63    54    64   1.10000 -1.0 2.0
   65    80    63    54   4.00000 -1.0 2.0
   70    66    65    63   1.10000 -1.0 2.0
   76    71    70    65   1.10000 -1.0 2.0
   77    79    76    70   4.00000 -1.0 2.0
   80    78    77    76   1.10000 -1.0 2.0
   77    81    80    63   1.10000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
   48    67    64    54   1.10000 -1.0 2.0
END
