* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    206     413
    1     0 S   NP   _N1_     1    30.38668    93.64792   -17.09185
    2     1 S   H    _HN1     2     1.02993   105.53765   133.73778
    3     1 S   H    _H1_     3     1.02828    22.18001    35.56698
    4     1 S   H    _H2_     4     1.03409   127.69809     7.69842
    5     1 S   CT   _CA1     5     1.50267    91.98867  -113.12588
    6     5 S   HC   _HA1     6     1.09708   104.50778    76.17950
    7     5 S   CO3  _C1_     7     1.54392   111.20066   -38.93738
    8     7 S   O2Z  _O11     8     1.26672   113.81420    52.68106
    9     7 S   O2Z  _O12     9     1.25979   116.87357  -127.08731
   10     5 S   CT   _CB1    10     1.53076   106.59576  -168.46124
   11    10 S   HC   HB11    11     1.09791   109.03889   -47.85749
   12    10 S   HC   HB12    12     1.09621   109.31137    68.12964
   13    10 S   CT   _CG1    13     1.53172   113.30548  -170.27692
   14    13 S   HC   HG11    14     1.09594   110.68566   -96.27249
   15    13 S   HC   HG12    15     1.09643   110.88476    22.75455
   16    13 S   C    _CD1    16     1.51553   112.19622   142.63457
   17    16 S   O    _OE1    17     1.22944   121.28870  -117.18711
   18    16 S   N    _N2_    18     1.38309   113.64160    63.60136
   19    18 S   H    _HN2    19     1.02135   119.53202    -1.02182
   20    18 S   CT1  _CA2    20     1.46266   123.22392  -178.32112
   21    20 S   HC   _HA2    21     1.09735   109.05988     3.39961
   22    20 S   C    _C2_    22     1.53516   109.98079  -112.62010
   23    22 S   O    _O2_    23     1.23132   121.83048  -153.10929
   24    20 S   CT   _CB2    32     1.53478   111.43432   124.59539
   25    24 S   HC   HB21    33     1.09516   109.54777    62.41601
   26    24 S   HC   HB22    34     1.09519   110.63757  -179.08272
   27    22 S   N    _N3_    24     1.38393   114.05278    34.66190
   28    27 S   H    _HN3    25     1.01469   118.93196    -1.83152
   29    24 S   S    _SG2    35     1.82694   111.57767   -58.81721
   30    27 S   CT   _CA3    26     1.45410   123.30744   175.53977
   31    30 S   HC   HA31    27     1.09543   108.96573    29.37510
   32    30 S   HC   HA32    28     1.09495   107.18011   146.23903
   33    29 S   CT   _C12    36     1.81743    99.18533   161.58563
   34    33 S   HC   _H7_    37     1.09654   109.90909   -35.49027
   35    30 S   CO3  _C3_    29     1.52917   113.35789   -93.98585
   36    35 S   O2Z  _O31    30     1.26395   115.51611   -45.12669
   37    35 S   O2Z  _O32    31     1.26395   114.97126   135.93576
   38    33 S   CT   _C13    38     1.51466   112.79761    87.57900
   39    38 S   HC   _H18    39     1.09434   112.79290   -79.92604
   40    38 S   HC   _H19    40     1.09717   110.87640    42.71734
   41    38 S   CO   _C14    41     1.51801   101.39520   158.62055
   42    41 S   HC   _H8_    42     1.09446   111.85387  -153.89351
   43    41 S   OS   _O42    43     1.43176   106.45081   -33.66468
   44    41 S   OH   _O43    76     1.42121   109.16943    85.62436
   45    44 S   HO   _H20    77     0.97168   106.64603   165.66220
   46    33 S   CT   _C11    44     1.52613   112.30236  -157.83321
   47    46 S   HC   _H6_    45     1.09727   112.38587   -36.30497
   48    46 S   CT   _C10    46     1.52386   112.71198    89.02121
   49    48 S   HC   _H16    47     1.09425   110.80023    68.90344
   50    48 S   HC   _H17    48     1.09433   111.06151   -51.93935
   51    48 S   OS   _O41    49     1.42446   109.27947  -173.69606
   52    51 S   P2   _P2_    50     1.63196   119.66641   115.47988
   53    52 S   O2Z  _O40    51     1.51481   109.17616   -50.61981
   54    52 S   O2Z  _O39    52     1.51208   108.41897   176.86344
   55    52 S   OS   _O38    53     1.63449   100.53183    62.35873
   56    55 S   CT   _C7_    54     1.41305   120.71531    60.13600
   57    56 S   HC   _H4_    55     1.09589   110.82038   -42.19794
   58    56 S   CT   _C6_    56     1.51307   112.60105    82.00224
   59    58 S   HC   _H12    57     1.09373   113.54174   -81.74431
   60    58 S   HC   _H13    58     1.09755   109.90953    37.89684
   61    58 S   CT   _C5_    59     1.52072   102.80074   155.38942
   62    61 S   HC   _H3_    60     1.09514   110.88372  -144.23641
   63    61 S   OS   _O33    61     1.43850   106.80859   -26.08932
   64    61 S   CT   _C4_    72     1.52220   112.93480    92.68194
   65    64 S   HC   _H9_    73     1.09537   111.39053   -59.61221
   66    64 S   HC   _H10    74     1.09537   110.22759  -177.64333
   67    64 S   HC   _H11    75     1.09409   111.21646    61.86754
   68    56 S   CT   _C8_    62     1.52507   110.98217  -165.94085
   69    68 S   HC   _H5_    63     1.09840   109.90321   -39.48594
   70    68 S   CT   _C9_    64     1.52253   114.29755    83.23402
   71    70 S   HC   _H14    65     1.09546   109.54692   168.97327
   72    70 S   HC   _H15    66     1.09556   110.76518    50.95045
   73    70 S   OS   _O34    67     1.42089   110.09230   -70.77561
   74    73 S   P3   _P1_    68     1.65176   117.96109  -178.54398
   75    74 S   O2Z  _O36    69     1.52438   103.78205   176.59027
   76    74 S   O2Z  _O37    70     1.52495   104.69019    56.88190
   77    74 S   O2Z  _O35    71     1.52466   104.42481   -63.68397
  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  10   5   4   3
  14   8   2   1   1  10   6   5   7   4   8   2   1   6   4   7
   3   2   5   7   3   2  10  14   8  12   6   5   9   6  10   4
   2   1   1   6   4   7   3   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    50    51    44  
   38    39    40    41    43    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    48    44    45  
   40    41    42    43    46    44  
   41    42    43    46    44  
   42    43    46    47    48    44    45  
   43    46    44    45  
   46    47    48    49    50    51    44    45  
   45    46  
    0  
   47    48    49    50    51    52  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52    53    54    55    56  
   53    54    55    56    57    58    68  
   54    55    56  
   55    56  
   56    57    58    59    60    61    63    68    69    70  
   57    58    59    60    61    62    63    68    69    70    71    72    73    64  
   58    59    60    61    63    68    69    70  
   59    60    61    62    63    68    69    70    64    65    66    67  
   60    61    62    63    68    64  
   61    62    63    68    64  
   62    63    68    69    70    64    65    66    67  
   63    68    64    65    66    67  
   68    69    70    71    72    73    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   320.000  1.380
   41    44   380.000  1.407
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   320.000  1.410
   51    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    55   230.000  1.697
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    68   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   320.000  1.410
   61    64   268.000  1.529
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   230.000  1.630
   74    75   525.000  1.516
   74    76   525.000  1.516
   74    77   525.000  1.516
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   553.000  0.945
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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    90.00000  108.56700
   38    41    44    90.00000  110.19100
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    46    60.00000  109.50000
   41    44    45    70.00000  107.92000
   43    41    42    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52   100.00000  120.50000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53   100.00000  108.23000
   51    52    54   100.00000  108.23000
   51    52    55    45.00000  102.60000
   52    55    56   100.00000  120.50000
   54    52    53   140.00000  119.90000
   55    52    53   100.00000  108.23000
   55    52    54   100.00000  108.23000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   55    56    68    50.00000  109.50000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    68    63    50.00000  109.50000
   56    68    69    37.50000  110.70000
   56    68    70    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    68    60.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    50.00000  109.50000
   68    56    57    37.50000  110.70000
   68    56    58    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    80.00000  112.68000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75   100.00000  107.00000
   73    74    76   100.00000  107.00000
   73    74    77   100.00000  107.00000
   76    74    75   140.00000  114.00000
   77    74    75   140.00000  114.00000
   77    74    76   140.00000  114.00000
   64    61    62    37.50000  110.70000
   64    61    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    41    42    60.00000  108.02500
   44    41    43   110.00000  112.08000
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   0.32350  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.62750  1.0 1.0
   33    38   -41    43  -0.30950 -1.0 2.0
   33    38   -41    43   0.27300  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.62750  1.0 1.0
   33    46    48    51  -0.30950 -1.0 2.0
   33    46    48    51   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    46    43   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    43   0.62750  1.0 1.0
   38    33   -46    43  -0.30950 -1.0 2.0
   38    33   -46    43   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    41   -43    46   0.06250  1.0 1.0
   38    41   -43    46  -0.01100 -1.0 2.0
   38    41   -43    46   0.28050  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43   -46    33   0.06250  1.0 1.0
   41    43   -46    33  -0.01100 -1.0 2.0
   41    43   -46    33   0.28050  1.0 3.0
   41    43    46    47   0.37050  1.0 3.0
   41    43    46    48   0.06250  1.0 1.0
   41    43    46    48  -0.01100 -1.0 2.0
   41    43    46    48   0.28050  1.0 3.0
   42    41    43    46   0.37050  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.50000  1.0 1.0
   43    41    44    45  -0.73950 -1.0 2.0
   43    41    44    45   0.17150  1.0 3.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51   1.11900  1.0 1.0
   43    46    48    51  -1.16350 -1.0 2.0
   43    46    48    51  -0.34150  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41   3.97050  1.0 1.0
   46    48    51    52  -2.65550  1.0 1.0
   46    48    51    52  -0.22350 -1.0 2.0
   46    48    51    52   0.24150  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.23400  1.0 3.0
   48    51    52    53   0.00000  1.0 1.0
   48    51    52    54   0.00000  1.0 1.0
   48    51    52    55   0.05050  1.0 1.0
   48    51    52    55  -1.30700 -1.0 2.0
   48    51    52    55   0.91550  1.0 3.0
   49    48    51    52   0.03000  1.0 3.0
   50    48    51    52   0.03000  1.0 3.0
   51    52    55    56   0.05050  1.0 1.0
   51    52    55    56  -1.30700 -1.0 2.0
   51    52    55    56   0.91550  1.0 3.0
   52    55    56    57   0.03000  1.0 3.0
   52    55    56    58  -2.65550  1.0 1.0
   52    55    56    58  -0.22350 -1.0 2.0
   52    55    56    58   0.24150  1.0 3.0
   52    55    56    68  -2.65550  1.0 1.0
   52    55    56    68  -0.22350 -1.0 2.0
   52    55    56    68   0.24150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.23400  1.0 3.0
   55    56    58    61   0.62750  1.0 1.0
   55    56    58    61  -0.30950 -1.0 2.0
   55    56    58    61   0.27300  1.0 3.0
   55    56    68    63   1.11900  1.0 1.0
   55    56    68    63  -1.16350 -1.0 2.0
   55    56    68    63  -0.34150  1.0 3.0
   55    56    68    69   0.23400  1.0 3.0
   55    56    68    70   0.62750  1.0 1.0
   55    56    68    70  -0.30950 -1.0 2.0
   55    56    68    70   0.27300  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63   0.62750  1.0 1.0
   56    58   -61    63  -0.30950 -1.0 2.0
   56    58   -61    63   0.27300  1.0 3.0
   56    58    61    64   0.56750  1.0 1.0
   56    58    61    64  -0.07550 -1.0 2.0
   56    58    61    64   0.20000  1.0 3.0
   56    68    70    71   0.15000  1.0 3.0
   56    68    70    72   0.15000  1.0 3.0
   56    68    70    73   0.62750  1.0 1.0
   56    68    70    73  -0.30950 -1.0 2.0
   56    68    70    73   0.27300  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    68    63   0.23400  1.0 3.0
   57    56    68    69   0.15000  1.0 3.0
   57    56    68    70   0.15000  1.0 3.0
   58    56   -68    63   0.62750  1.0 1.0
   58    56   -68    63  -0.30950 -1.0 2.0
   58    56   -68    63   0.27300  1.0 3.0
   58    56    68    69   0.15000  1.0 3.0
   58    56    68    70   0.56750  1.0 1.0
   58    56    68    70  -0.07550 -1.0 2.0
   58    56    68    70   0.20000  1.0 3.0
   58    61   -63    68   0.06250  1.0 1.0
   58    61   -63    68  -0.01100 -1.0 2.0
   58    61   -63    68   0.28050  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    63   -68    56   0.06250  1.0 1.0
   61    63   -68    56  -0.01100 -1.0 2.0
   61    63   -68    56   0.28050  1.0 3.0
   61    63    68    69   0.37050  1.0 3.0
   61    63    68    70   0.06250  1.0 1.0
   61    63    68    70  -0.01100 -1.0 2.0
   61    63    68    70   0.28050  1.0 3.0
   62    61    63    68   0.37050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.23400  1.0 3.0
   63    61    64    66   0.23400  1.0 3.0
   63    61    64    67   0.23400  1.0 3.0
   63    68    70    71   0.23400  1.0 3.0
   63    68    70    72   0.23400  1.0 3.0
   63    68    70    73   1.11900  1.0 1.0
   63    68    70    73  -1.16350 -1.0 2.0
   63    68    70    73  -0.34150  1.0 3.0
   68    56    58    59   0.15000  1.0 3.0
   68    56    58    60   0.15000  1.0 3.0
   68    56   -58    61   0.56750  1.0 1.0
   68    56   -58    61  -0.07550 -1.0 2.0
   68    56   -58    61   0.20000  1.0 3.0
   68    70    73    74  -2.65550  1.0 1.0
   68    70    73    74  -0.22350 -1.0 2.0
   68    70    73    74   0.24150  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.23400  1.0 3.0
   70    73    74    75   0.00000  1.0 1.0
   70    73    74    76   0.00000  1.0 1.0
   70    73    74    77   0.00000  1.0 1.0
   71    70    73    74   0.03000  1.0 3.0
   72    70    73    74   0.03000  1.0 3.0
   64    61    63    68   0.06250  1.0 1.0
   64    61    63    68  -0.01100 -1.0 2.0
   64    61    63    68   0.28050  1.0 3.0
   44    41    43    46  -0.70900  1.0 1.0
   44    41    43    46  -1.18000 -1.0 2.0
   44    41    43    46   0.91650  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
   36    30    35    37  10.50000 -1.0 2.0
END
