* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    248     478
    1     0 S   NP   _N1_     1    28.90308    95.57946   -25.60093
    2     1 S   H    _HN1     2     1.02828    36.09570  -164.81175
    3     1 S   H    _H1_     3     1.02787   120.12113   -85.93811
    4     1 S   H    _H2_     4     1.02948    70.97081    14.75378
    5     1 S   CT   _CA1     5     1.50116   124.14704   116.98280
    6     5 S   HC   _HA1     6     1.09573   105.17359    97.32029
    7     5 S   CO3  _C1_     7     1.53784   112.51095   -22.89657
    8     7 S   O2Z  _O11     8     1.26375   115.00108   -41.29106
    9     7 S   O2Z  _O12     9     1.26241   114.95370   137.81819
   10     5 S   CT   _CB1    10     1.53078   107.42473  -144.67141
   11    10 S   HC   HB11    11     1.09835   109.36040   -49.33233
   12    10 S   HC   HB12    12     1.09811   110.45544    67.28361
   13    10 S   CT   _CG1    13     1.52999   112.61284  -170.28184
   14    13 S   HC   HG11    14     1.09576   110.68513   -66.65785
   15    13 S   HC   HG12    15     1.09673   109.72131    52.56967
   16    13 S   C    _CD1    16     1.51814   112.15995   173.05937
   17    16 S   O    _OE1    17     1.22731   123.23829     9.97910
   18    16 S   N    _N2_    18     1.38667   111.68641  -170.10215
   19    18 S   H    _HN2    19     1.01574   118.92516     1.73540
   20    18 S   CT1  _CA2    20     1.46172   123.39727   177.05563
   21    20 S   HC   _HA2    21     1.09733   109.14278     7.44930
   22    20 S   C    _C2_    22     1.53695   109.89828  -108.08823
   23    22 S   O    _O2_    23     1.23171   121.86023  -156.18106
   24    20 S   CT   _CB2    32     1.53246   111.24196   129.41705
   25    24 S   HC   HB21    33     1.09600   110.22862    51.96805
   26    24 S   HC   HB22    34     1.09287   110.62260   170.97718
   27    22 S   N    _N3_    24     1.38166   114.19845    31.20082
   28    27 S   H    _HN3    25     1.01552   119.57619    -3.32425
   29    24 S   S    _SG2    35     1.82324   111.49856   -68.92249
   30    27 S   CT   _CA3    26     1.45281   123.32771   176.97677
   31    30 S   HC   HA31    27     1.09548   107.54149   -64.11808
   32    30 S   HC   HA32    28     1.09555   107.96278    52.33397
   33    29 S   CT   _C11    36     1.82920    98.66335  -178.16250
   34    33 S   HC   _H7_    37     1.09468   106.06591   -50.85311
   35    30 S   CO3  _C3_    29     1.52984   114.02419   174.34348
   36    35 S   O2Z  _O31    30     1.26386   116.06246     0.56232
   37    35 S   O2Z  _O32    31     1.26425   114.41718  -179.37725
   38    33 S   CM   _C12    38     1.51802   110.93374  -169.22079
   39    33 S   OS   _O34    52     1.42625   114.48502    63.41729
   40    38 S   CT   _C8_    39     1.51122   114.89988   -92.54624
   41    40 S   HC   _H4_    40     1.09751   109.76153   135.64630
   42    38 S   CMA  _C13    80     1.36875   122.89942    84.98822
   43    42 S   OM   _O35    81     1.26980   125.38274  -178.58861
   44    40 S   CO4  _C7_    41     1.52467   116.27209  -102.71284
   45    44 S   O    _O33    42     1.22434   125.78373   -32.90046
   46    42 S   OS   _O36    82     1.42008   111.67142     2.20762
   47    44 S   CT   _C6_    43     1.51442   111.64925   148.04833
   48    47 S   HC   _H16    44     1.09283   110.65604   120.93732
   49    47 S   HC   _H17    45     1.09411   108.48635  -118.06597
   50    46 S   CT   _C14    83     1.42739   113.98004  -139.13977
   51    50 S   HC   _H18    84     1.09404   107.74837   171.00739
   52    50 S   HC   _H19    85     1.09542   111.12101    52.84668
   53    50 S   HC   _H20    86     1.09475   111.02099   -71.04492
   54    47 S   CT   _C5_    46     1.53704   103.19957    -0.11014
   55    54 S   HC   _H3_    47     1.09687   110.19101  -143.56146
   56    40 S   CT   _C9_    48     1.53471   114.42918    13.32753
   57    56 S   HC   _H5_    49     1.09774   110.31618    78.77673
   58    54 S   CT   _C4_    76     1.53019   111.51940    97.40626
   59    58 S   HC   _H13    77     1.09417   112.47313   -55.33363
   60    58 S   HC   _H14    78     1.09494   110.55653  -176.25164
   61    58 S   HC   _H15    79     1.09536   110.27442    64.69644
   62    56 S   CO   _C10    50     1.54795   113.07945   -44.04658
   63    62 S   HC   _H6_    51     1.09516   109.22938   -92.30237
   64    62 S   OS1  _O37    53     1.43576   107.27802   151.24334
   65    64 S   CO1  _C15    54     1.43418   113.37856   162.79711
   66    65 S   HC   _H8_    55     1.09744   108.60095    54.96365
   67    65 S   CT   _C16    56     1.53493   107.50941   174.51220
   68    67 S   HC   _H9_    57     1.09690   109.71129    52.81906
   69    67 S   CT   _C17    58     1.53179   111.32703   174.54705
   70    69 S   HC   _H10    59     1.09671   110.25875    73.70684
   71    67 S   OH5  _O42    74     1.42782   110.28157   -63.78197
   72    71 S   HO   _H26    75     0.97339   108.32152   -69.95016
   73    69 S   CT   _C18    60     1.53137   111.43080   -48.95364
   74    73 S   HC   _H11    61     1.09704   109.05889   -71.65453
   75    69 S   OH5  _O41    72     1.42944   109.63947  -170.40390
   76    75 S   HO   _H25    73     0.97235   108.15631    59.98393
   77    73 S   CT   _C19    62     1.53169   110.60981    49.56010
   78    77 S   HC   _H12    63     1.09832   111.00868    64.17233
   79    73 S   OH5  _O40    70     1.42587   109.72707   171.48018
   80    79 S   HO   _H24    71     0.97258   108.21568   -57.46505
   81    65 S   OS1  _O38    64     1.43004   110.72339   -66.14916
   82    77 S   CT   _C20    65     1.52977   111.53060  -174.95978
   83    82 S   HC   _H21    66     1.09502   111.01356    69.19002
   84    82 S   HC   _H22    67     1.09398   111.55187   -53.22447
   85    82 S   OH5  _O39    68     1.42504   109.03736  -172.17526
   86    85 S   HO   _H23    69     0.97243   107.01721  -178.65637
  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   7   5   4   3
  13   5   2   1   1  14   9  17   8   8   2  10   5   4  11   5
   4   3   2   1   1  10   7   9   4   4   2   1   1   6   2   8
  13   6  12   7  13   7   4   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    40    62    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    62    63    39    64    42    43    46  
   38    40    62    39    42  
   36    37  
   37  
    0  
   40    41    44    45    47    54    56    57    62    39    42    43    46    50  
   64    65    42    40    54    56    57    62    63  
   41    44    45    47    48    49    54    55    56    57    62    63    64    58    42    43    46  
   44    45    47    54    56    57    62    42  
   43    46    50    51    52    53    44    56  
   46    50  
   45    47    48    49    54    55    56    57    62    58  
   47    48    49    54    56  
   50    51    52    53  
   48    49    54    55    56    57    62    58    59    60    61  
   49    54    55    56    58  
   54    55    56    58  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    62    63    64    58    59    60    61  
   56    57    62    58    59    60    61  
   57    62    63    64    65    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    81  
   64    65  
   65    66    67    68    69    77    81    71  
   66    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    56   268.000  1.529
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   250.000  1.527
   62    63   340.000  1.090
   62    39   320.000  1.380
   62    64   320.000  1.380
   64    65   370.000  1.399
   65    66   360.000  1.097
   65    67   255.000  1.525
   65    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    62    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  109.06800
   38    40    56    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   40    44    45    80.00000  120.40000
   40    44    47    70.00000  116.00000
   40    56    54    58.35000  112.70000
   40    56    57    37.50000  110.70000
   40    56    62    75.00000  109.43000
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    63.00000  111.10000
   47    44    45    80.00000  120.40000
   47    54    55    37.50000  110.70000
   47    54    56    58.35000  112.70000
   47    54    58    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    75.00000  109.43000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    40    41    37.50000  110.70000
   56    40    44    63.00000  111.10000
   56    54    55    37.50000  110.70000
   56    62    63    45.00000  112.01100
   56    62    39    90.00000  108.56700
   56    62    64    90.00000  108.56700
   62    56    57    45.00000  108.72000
   62    64    65    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    62    63    35.00000  109.50000
   64    62    63    35.00000  109.50000
   64    62    39    92.60000  111.55000
   64    65    66    60.00000  105.75400
   64    65    67    90.00000  109.70700
   64    65    81   110.00000  113.16000
   65    67    68    45.00000  109.54000
   65    67    69    70.00000  111.10000
   65    67    71    90.00000  109.42000
   65    81    77    90.00000  112.10700
   67    65    66    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    65    66    60.00000  105.75400
   81    65    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    46    50    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    62   0.14700  1.0 1.0
   29    33    39    62  -1.16150 -1.0 2.0
   29    33    39    62   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.17250  1.0 1.0
   33    38    40    44  -0.04100 -1.0 2.0
   33    38    40    44  -0.33850  1.0 3.0
   33    38    40    56   0.46850  1.0 1.0
   33    38    40    56   0.08550 -1.0 2.0
   33    38    40    56   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    62   0.37050  1.0 3.0
   38    33    39    62  -0.77900  1.0 1.0
   38    33    39    62  -0.36900 -1.0 2.0
   38    33    39    62   0.40400  1.0 3.0
   38    40    44    45   0.30150 -1.0 2.0
   38    40    44    47   0.65300  1.0 1.0
   38    40    44    47  -0.03850 -1.0 2.0
   38    40    44    47   0.33900  1.0 3.0
   38    40    56    54   0.34400  1.0 1.0
   38    40    56    54   0.09450 -1.0 2.0
   38    40    56    54   0.11100  1.0 3.0
   38    40    56    57   0.15000  1.0 3.0
   38    40   -56    62   0.34400  1.0 1.0
   38    40   -56    62   0.09450 -1.0 2.0
   38    40   -56    62   0.11100  1.0 3.0
   38    42    46    50  -2.26850  1.0 1.0
   38    42    46    50   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    46   7.00000 -1.0 2.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44   -47    54   0.60050  1.0 1.0
   40    44   -47    54   0.05600 -1.0 2.0
   40    44   -47    54   0.26150  1.0 3.0
   40    56    62    63   0.15000  1.0 3.0
   40    56    62    39   0.62750  1.0 1.0
   40    56    62    39  -0.30950 -1.0 2.0
   40    56    62    39   0.27300  1.0 3.0
   40    56    62    64   0.62750  1.0 1.0
   40    56    62    64  -0.30950 -1.0 2.0
   40    56    62    64   0.27300  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    56    54   0.15000  1.0 3.0
   41    40    56    57   0.15000  1.0 3.0
   41    40    56    62   0.15000  1.0 3.0
   44    40   -56    54  -0.95700  1.0 1.0
   44    40   -56    54  -0.18200 -1.0 2.0
   44    40   -56    54   0.29450  1.0 3.0
   44    40    56    57  -0.11250  1.0 3.0
   44    40    56    62  -0.95700  1.0 1.0
   44    40    56    62  -0.18200 -1.0 2.0
   44    40    56    62   0.29450  1.0 3.0
   44    47    54    55  -0.11250  1.0 3.0
   44    47   -54    56  -0.95700  1.0 1.0
   44    47   -54    56  -0.18200 -1.0 2.0
   44    47   -54    56   0.29450  1.0 3.0
   44    47    54    58  -0.95700  1.0 1.0
   44    47    54    58  -0.18200 -1.0 2.0
   44    47    54    58   0.29450  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    54   0.30150 -1.0 2.0
   47    54   -56    40   0.56750  1.0 1.0
   47    54   -56    40  -0.07550 -1.0 2.0
   47    54   -56    40   0.20000  1.0 3.0
   47    54    56    57   0.15000  1.0 3.0
   47    54    56    62   3.97050  1.0 1.0
   47    54    58    59   0.15000  1.0 3.0
   47    54    58    60   0.15000  1.0 3.0
   47    54    58    61   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    58   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   49    47    54    58   0.15000  1.0 3.0
   54    56    62    63   0.15000  1.0 3.0
   54    56    62    39   0.62750  1.0 1.0
   54    56    62    39  -0.30950 -1.0 2.0
   54    56    62    39   0.27300  1.0 3.0
   54    56    62    64   0.62750  1.0 1.0
   54    56    62    64  -0.30950 -1.0 2.0
   54    56    62    64   0.27300  1.0 3.0
   55    54    56    40   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    62   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   56    40    44    45   0.30150 -1.0 2.0
   56    40   -44    47   0.60050  1.0 1.0
   56    40   -44    47   0.05600 -1.0 2.0
   56    40   -44    47   0.26150  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    61   0.15000  1.0 3.0
   56    62   -39    33   0.06250  1.0 1.0
   56    62   -39    33  -0.01100 -1.0 2.0
   56    62   -39    33   0.28050  1.0 3.0
   56    62    64    65   0.06250  1.0 1.0
   56    62    64    65  -0.01100 -1.0 2.0
   56    62    64    65   0.28050  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    39   0.23400  1.0 3.0
   57    56    62    64   0.23400  1.0 3.0
   62    64    65    66   0.37050  1.0 3.0
   62    64    65    67   0.06250  1.0 1.0
   62    64    65    67  -0.01100 -1.0 2.0
   62    64    65    67   0.28050  1.0 3.0
   62    64    65    81  -0.12700  1.0 1.0
   62    64    65    81  -1.16200 -1.0 2.0
   62    64    65    81   0.58800  1.0 3.0
   63    62    39    33   0.37050  1.0 3.0
   63    62    64    65   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    62    64    65  -0.53350  1.0 1.0
   39    62    64    65  -0.78350 -1.0 2.0
   39    62    64    65   0.33750  1.0 3.0
   64    62    39    33  -0.81800  1.0 1.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69   0.62750  1.0 1.0
   64    65    67    69  -0.30950 -1.0 2.0
   64    65    67    69   0.27300  1.0 3.0
   64    65    67    71   1.51850  1.0 1.0
   64    65    81    77  -0.70400  1.0 1.0
   64    65    81    77  -0.90350 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    73   0.56750  1.0 1.0
   65    67    69    73  -0.07550 -1.0 2.0
   65    67    69    73   0.20000  1.0 3.0
   65    67    69    75  -0.47750  1.0 1.0
   65    67    71    72   0.29150  1.0 1.0
   65    67    71    72  -0.28350 -1.0 2.0
   65    67    71    72   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    81    77   0.37050  1.0 3.0
   67    65    81    77   0.06250  1.0 1.0
   67    65    81    77  -0.01100 -1.0 2.0
   67    65    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    65   0.06250  1.0 1.0
   73    77   -81    65  -0.01100 -1.0 2.0
   73    77   -81    65   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    65   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    65    67    68   0.23400  1.0 3.0
   81    65   -67    69   0.62750  1.0 1.0
   81    65   -67    69  -0.30950 -1.0 2.0
   81    65   -67    69   0.27300  1.0 3.0
   81    65    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    65   0.06250  1.0 1.0
   82    77    81    65  -0.01100 -1.0 2.0
   82    77    81    65   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   58    54    56    40   0.56750  1.0 1.0
   58    54    56    40  -0.07550 -1.0 2.0
   58    54    56    40   0.20000  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   3.97050  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44  -0.51250  1.0 1.0
   42    38    40    44  -0.88800 -1.0 2.0
   42    38    40    44   0.08850  1.0 3.0
   42    38    40    56   0.09850  1.0 1.0
   42    38    40    56   0.15250 -1.0 2.0
   42    38    40    56  -0.50650  1.0 3.0
   42    46    50    51   0.08050  1.0 3.0
   42    46    50    52   0.08050  1.0 3.0
   42    46    50    53   0.08050  1.0 3.0
   43    42    46    50   2.00000 -1.0 2.0
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
   33    40    38    42   1.10000 -1.0 2.0
   40    47    44    45  10.50000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
