* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    224     442
    1     0 S   NP   _N1_     1    31.00316   100.06229   -22.50241
    2     1 S   H    _HN1     2     1.03489   146.73555   -98.14104
    3     1 S   H    _H1_     3     1.02751    44.85785   -55.20815
    4     1 S   H    _H2_     4     1.02891    72.94125   165.66238
    5     1 S   CT   _CA1     5     1.50507    98.60719    57.09634
    6     5 S   HC   _HA1     6     1.09684   104.20755   138.79084
    7     5 S   CO3  _C1_     7     1.54301   111.80053    23.23261
    8     7 S   O2Z  _O11     8     1.26031   116.63671  -132.77379
    9     7 S   O2Z  _O12     9     1.26611   113.90030    46.89200
   10     5 S   CT   _CB1    10     1.53156   106.89264  -105.14415
   11    10 S   HC   HB11    11     1.09611   109.59197   -38.82541
   12    10 S   HC   HB12    12     1.09792   110.19610    76.86213
   13    10 S   CT   _CG1    13     1.53198   112.76753  -161.22847
   14    13 S   HC   HG11    14     1.09510   111.06522   -95.83357
   15    13 S   HC   HG12    15     1.09468   111.08373    23.36878
   16    13 S   C    _CD1    16     1.51465   109.81898   144.15894
   17    16 S   O    _OE1    17     1.22800   121.80553    85.96585
   18    16 S   N    _N2_    18     1.38556   112.63402   -90.97349
   19    18 S   H    _HN2    19     1.01587   119.11396    -4.57033
   20    18 S   CT1  _CA2    20     1.46168   123.41460   172.22524
   21    20 S   HC   _HA2    21     1.09717   109.16221   -12.51537
   22    20 S   C    _C2_    22     1.53766   108.37004  -128.04276
   23    22 S   O    _O2_    23     1.23050   122.20129  -153.44203
   24    20 S   CT   _CB2    32     1.53334   112.17175   110.04066
   25    24 S   HC   HB21    33     1.09436   110.12734    59.12048
   26    24 S   HC   HB22    34     1.09557   110.12291   176.41057
   27    22 S   N    _N3_    24     1.38357   113.81839    33.42831
   28    27 S   H    _HN3    25     1.01483   119.17567    -1.55457
   29    24 S   S    _SG2    35     1.82855   112.42997   -65.05950
   30    27 S   CT   _CA3    26     1.45332   123.42887   178.22966
   31    30 S   HC   HA31    27     1.09543   107.20918   -71.98271
   32    30 S   HC   HA32    28     1.09555   108.29246    44.46276
   33    29 S   CT   _C12    36     1.84143   100.30921   128.56759
   34    33 S   HC   _H3_    37     1.09729   106.94286    45.35357
   35    30 S   CO3  _C3_    29     1.53025   114.26801   166.65030
   36    35 S   O2Z  _O31    30     1.26428   116.28308    -2.97789
   37    35 S   O2Z  _O32    31     1.26387   114.47987   177.13106
   38    33 S   CA   _C7_    38     1.52080   111.18248   -74.26775
   39    33 S   CT   _C13    58     1.53600   108.14936   160.61834
   40    39 S   HC   _H18    59     1.09695   112.61017    64.35260
   41    39 S   HC   _H19    60     1.09814   111.11434   -54.18586
   42    38 S   CA   _C6_    39     1.40645   119.33486   110.60387
   43    42 S   HA   _H12    40     1.08634   118.36838    -0.05234
   44    39 S   CO4  _C14    61     1.51146   111.44285  -172.35787
   45    44 S   O    _O36    62     1.22367   123.74164    71.02595
   46    42 S   CA   _C5_    41     1.39598   120.83536   179.86012
   47    44 S   OS1  _O37    63     1.36200   110.03293  -108.80182
   48    46 S   CA   _C10    42     1.40010   118.87337    -0.46098
   49    46 S   OS   _O33    53     1.37051   125.52861   179.77971
   50    47 S   CO1  _C15    64     1.44210   116.73606  -177.10065
   51    50 S   HC   _H4_    65     1.09699   108.37134    51.36611
   52    48 S   CA   _C9_    43     1.39902   121.63438     0.46730
   53    48 S   OH   _O34    51     1.37319   119.76449  -179.44574
   54    53 S   HO   _H14    52     0.97363   107.41623     1.74944
   55    49 S   CT   _C4_    54     1.42249   116.98713     2.14977
   56    55 S   HC   _H9_    55     1.09423   107.73546   178.84242
   57    55 S   HC   _H10    56     1.09504   111.15460    61.10989
   58    55 S   HC   _H11    57     1.09496   111.09345   -63.42991
   59    50 S   CT   _C16    66     1.53586   108.42336   169.16104
   60    59 S   HC   _H5_    67     1.09628   110.99303   -48.77125
   61    38 S   CA   _C8_    44     1.40725   121.66576   -69.36995
   62    61 S   HA   _H13    45     1.08580   118.51127     0.82874
   63    52 S   OS   _O35    46     1.36996   116.09573  -179.98022
   64    59 S   CT   _C17    68     1.53248   110.08937    72.02712
   65    64 S   HC   _H6_    69     1.09734   108.54248   -67.47728
   66    59 S   OH5  _O42    84     1.42845   109.59305  -166.81466
   67    66 S   HO   _H25    85     0.97219   107.77756    60.36452
   68    63 S   CT   _C11    47     1.42200   117.24887  -179.11929
   69    68 S   HC   _H15    48     1.09422   107.74662   179.50071
   70    68 S   HC   _H16    49     1.09492   111.19881    61.74205
   71    68 S   HC   _H17    50     1.09502   111.09329   -62.78033
   72    64 S   CT   _C18    70     1.53225   111.71529    52.47257
   73    72 S   HC   _H7_    71     1.09568   109.73228  -174.84406
   74    64 S   OH5  _O41    82     1.42480   110.15500   175.68416
   75    74 S   HO   _H24    83     0.97274   107.52830   177.20390
   76    72 S   CT   _C19    72     1.53569   109.35140   -52.94410
   77    76 S   HC   _H8_    73     1.09411   108.40681   -64.34628
   78    72 S   OH5  _O40    80     1.42818   110.64031    67.85608
   79    78 S   HO   _H23    81     0.97326   107.37243    37.73299
   80    50 S   OS1  _O38    74     1.43370   113.47293   -66.87538
   81    76 S   CT   _C20    75     1.52794   113.09687   175.68262
   82    81 S   HC   _H20    76     1.09540   111.42259   -61.53613
   83    81 S   HC   _H21    77     1.09585   109.95807   179.92867
   84    81 S   OH5  _O39    78     1.41913   110.37418    60.06389
   85    84 S   HO   _H22    79     0.97235   107.03903  -179.59944
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   9   4   6   2  11   8   9
   6  13   6   9   3   1   3   2   1   1  12   7   3   1   4  13
   7   4   1   3   2   1   1  12   7   3   1   9   6   3   1   4
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    61    62    39    40    41    44    45    47  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    48    52    61    62    63    49    39    40    41    44  
   40    41    44    45    47    50    42    61  
   41    44    45    47  
   44    45    47  
   43    46    48    52    61    62    53    49    55  
   46    48    61    49  
   45    47    50    51    59    80  
   47    50  
   48    52    61    63    53    54    49    55    56    57    58  
   50    51    59    60    64    76    80    66  
   52    61    62    63    68    53    54    49    55  
   55    56    57    58    52    53  
   51    59    60    64    65    72    76    77    80    81    74    66    67  
   59    60    64    76    80    66  
   61    62    63    68    69    70    71    53    54  
   54    61    63  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    64    65    72    73    76    80    78    74    75    66    67  
   64    65    72    80    74    66    67  
   62    63    68  
   63  
   68    69    70    71  
   65    72    73    76    77    80    81    78    79    74    75    66    67  
   72    73    76    78    74    75    66  
   67    72    74    80  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   2.9000   0.1400  -0.280000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    49   450.000  1.364
   48    52   469.000  1.400
   48    53   450.000  1.364
   52    61   469.000  1.400
   52    63   450.000  1.364
   61    62   367.000  1.080
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   553.000  0.945
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    47   214.000  1.327
   47    50   370.000  1.399
   50    51   360.000  1.097
   50    59   255.000  1.525
   50    80   370.000  1.399
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    66   355.000  1.421
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   66    67   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    52    63.00000  120.00000
   38    61    62    35.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    49    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    48    52    63.00000  120.00000
   46    48    53    70.00000  120.00000
   46    49    55    75.00000  111.00000
   48    52    61    63.00000  120.00000
   48    52    63    70.00000  120.00000
   48    53    54    35.00000  113.00000
   52    61    62    35.00000  120.00000
   52    63    68    75.00000  111.00000
   61    38    42    63.00000  120.00000
   63    52    61    70.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    48    52    70.00000  120.00000
   49    46    48    70.00000  120.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    47    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    50    83.00000  116.90000
   47    44    45    83.00000  123.40000
   47    50    51    60.00000  105.75400
   47    50    59    90.00000  109.70700
   47    50    80   110.00000  113.16000
   50    59    60    45.00000  109.54000
   50    59    64    70.00000  111.10000
   50    59    66    90.00000  109.42000
   50    80    76    90.00000  112.10700
   59    50    51    45.00000  111.65000
   59    64    65    37.50000  110.70000
   59    64    72    58.35000  112.70000
   59    64    74    90.00000  111.45300
   59    66    67    65.00000  108.53500
   64    59    60    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    76    58.35000  112.70000
   64    72    78    90.00000  111.45300
   64    74    75    65.00000  108.53500
   72    64    65    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    50    51    60.00000  105.75400
   80    50    59    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    64    65    60.00000  109.39000
   74    64    72    90.00000  111.45300
   66    59    60    60.00000  109.39000
   66    59    64    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    52   3.62500 -1.0 2.0
   33    38    61    62   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    47   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    48   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    61    52   3.62500 -1.0 2.0
   42    38    61    62   3.62500 -1.0 2.0
   42    46   -48    52   3.62500 -1.0 2.0
   42    46    48    53   3.62500 -1.0 2.0
   42    46    49    55   1.63200 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    48    52    61   3.62500 -1.0 2.0
   46    48    52    63   3.62500 -1.0 2.0
   46    48    53    54   0.84100 -1.0 2.0
   46    49    55    56   0.08050  1.0 3.0
   46    49    55    57   0.08050  1.0 3.0
   46    49    55    58   0.08050  1.0 3.0
   48    46    49    55   1.63200 -1.0 2.0
   48    52   -61    38   3.62500 -1.0 2.0
   48    52    61    62   3.62500 -1.0 2.0
   48    52    63    68   1.63200 -1.0 2.0
   52    48    53    54   0.84100 -1.0 2.0
   52    63    68    69   0.08050  1.0 3.0
   52    63    68    70   0.08050  1.0 3.0
   52    63    68    71   0.08050  1.0 3.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   61    52    63    68   1.63200 -1.0 2.0
   63    52    61    38   3.62500 -1.0 2.0
   63    52    61    62   3.62500 -1.0 2.0
   53    48    52    61   3.62500 -1.0 2.0
   53    48    52    63   3.62500 -1.0 2.0
   49    46    48    52   3.62500 -1.0 2.0
   49    46    48    53   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    47    50   1.63150  1.0 1.0
   39    44    47    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    50    51   0.08050  1.0 3.0
   44    47    50    59  -0.25900  1.0 1.0
   44    47    50    59  -0.47000 -1.0 2.0
   44    47    50    59   0.11750  1.0 3.0
   44    47    50    80  -0.24150  1.0 1.0
   44    47    50    80  -0.46200 -1.0 2.0
   44    47    50    80   0.11700  1.0 3.0
   45    44    47    50   3.00000 -1.0 2.0
   47    50    59    60   0.23400  1.0 3.0
   47    50    59    64   0.62750  1.0 1.0
   47    50    59    64  -0.30950 -1.0 2.0
   47    50    59    64   0.27300  1.0 3.0
   47    50    59    66   1.51850  1.0 1.0
   47    50    80    76  -0.70400  1.0 1.0
   47    50    80    76  -0.90350 -1.0 2.0
   50    59    64    65   0.15000  1.0 3.0
   50    59    64    72   0.56750  1.0 1.0
   50    59    64    72  -0.07550 -1.0 2.0
   50    59    64    72   0.20000  1.0 3.0
   50    59    64    74  -0.47750  1.0 1.0
   50    59    66    67   0.29150  1.0 1.0
   50    59    66    67  -0.28350 -1.0 2.0
   50    59    66    67   0.43600  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   51    50    59    66   0.23400  1.0 3.0
   51    50    80    76   0.37050  1.0 3.0
   59    50    80    76   0.06250  1.0 1.0
   59    50    80    76  -0.01100 -1.0 2.0
   59    50    80    76   0.28050  1.0 3.0
   59    64    72    73   0.15000  1.0 3.0
   59    64   -72    76   0.56750  1.0 1.0
   59    64   -72    76  -0.07550 -1.0 2.0
   59    64   -72    76   0.20000  1.0 3.0
   59    64    72    78  -0.47750  1.0 1.0
   59    64    74    75   0.29150  1.0 1.0
   59    64    74    75  -0.28350 -1.0 2.0
   59    64    74    75   0.43600  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    72   0.15000  1.0 3.0
   60    59    64    74   0.23400  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   64    59    66    67   0.29150  1.0 1.0
   64    59    66    67  -0.28350 -1.0 2.0
   64    59    66    67   0.43600  1.0 3.0
   64    72    76    77   0.15000  1.0 3.0
   64    72    76    80   0.62750  1.0 1.0
   64    72    76    80  -0.30950 -1.0 2.0
   64    72    76    80   0.27300  1.0 3.0
   64    72    76    81   0.56750  1.0 1.0
   64    72    76    81  -0.07550 -1.0 2.0
   64    72    76    81   0.20000  1.0 3.0
   64    72    78    79   0.29150  1.0 1.0
   64    72    78    79  -0.28350 -1.0 2.0
   64    72    78    79   0.43600  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    76   0.15000  1.0 3.0
   65    64    72    78   0.23400  1.0 3.0
   65    64    74    75   0.19450  1.0 3.0
   72    64    74    75   0.29150  1.0 1.0
   72    64    74    75  -0.28350 -1.0 2.0
   72    64    74    75   0.43600  1.0 3.0
   72    76   -80    50   0.06250  1.0 1.0
   72    76   -80    50  -0.01100 -1.0 2.0
   72    76   -80    50   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    50   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    50    59    60   0.23400  1.0 3.0
   80    50   -59    64   0.62750  1.0 1.0
   80    50   -59    64  -0.30950 -1.0 2.0
   80    50   -59    64   0.27300  1.0 3.0
   80    50    59    66   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    50   0.06250  1.0 1.0
   81    76    80    50  -0.01100 -1.0 2.0
   81    76    80    50   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    64    72    73   0.23400  1.0 3.0
   74    64    72    76  -0.47750  1.0 1.0
   74    64    72    78   3.77950  1.0 1.0
   66    59    64    65   0.23400  1.0 3.0
   66    59    64    72  -0.47750  1.0 1.0
   66    59    64    74   3.77950  1.0 1.0
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
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    49    46    42   4.00000 -1.0 2.0
   52    53    48    46   4.00000 -1.0 2.0
   61    63    52    48   4.00000 -1.0 2.0
   52    62    61    38   1.10000 -1.0 2.0
   39    47    44    45  10.50000 -1.0 2.0
END
