* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    162    258     489
    1     0 S   NP   _N1_     1    28.88078    96.07236   -26.29027
    2     1 S   H    _HN1     2     1.02782   122.49979  -122.06921
    3     1 S   H    _H1_     3     1.02951    80.68002   -16.16126
    4     1 S   H    _H2_     4     1.02832    26.88577   174.77670
    5     1 S   CT   _CA1     5     1.50136   117.01406    92.08445
    6     5 S   HC   _HA1     6     1.09572   105.18736    87.86054
    7     5 S   CO3  _C1_     7     1.53776   112.35826   -32.36851
    8     7 S   O2Z  _O11     8     1.26379   114.98768   -43.55139
    9     7 S   O2Z  _O12     9     1.26221   114.94508   135.43592
   10     5 S   CT   _CB1    10     1.53075   107.42307  -154.15695
   11    10 S   HC   HB11    11     1.09836   109.38084   -49.33477
   12    10 S   HC   HB12    12     1.09811   110.44739    67.25620
   13    10 S   CT   _CG1    13     1.53027   112.64118  -170.28402
   14    13 S   HC   HG11    14     1.09576   110.66937   -65.77861
   15    13 S   HC   HG12    15     1.09669   109.77888    53.46640
   16    13 S   C    _CD1    16     1.51814   112.09232   173.94505
   17    16 S   O    _OE1    17     1.22768   123.29823     9.04324
   18    16 S   N    _N2_    18     1.38613   111.85048  -170.95878
   19    18 S   H    _HN2    19     1.01599   119.19198    -0.72118
   20    18 S   CT1  _CA2    20     1.46077   122.56029   178.55544
   21    20 S   HC   _HA2    21     1.09728   108.37107    34.65657
   22    20 S   C    _C2_    22     1.53227   109.85373   -81.89491
   23    22 S   O    _O2_    23     1.23129   121.11595   156.98298
   24    20 S   CT   _CB2    32     1.53249   111.87563   157.56693
   25    24 S   HC   HB21    33     1.09605   110.36486    56.28302
   26    24 S   HC   HB22    34     1.09503   109.89114   175.25397
   27    22 S   N    _N3_    24     1.38143   114.53117   -30.23087
   28    27 S   H    _HN3    25     1.01597   119.48307     5.11033
   29    24 S   S    _SG2    35     1.82380   111.42023   -64.66120
   30    27 S   CT   _CA3    26     1.45247   123.17331  -176.97515
   31    30 S   HC   HA31    27     1.09553   108.08613   -50.13554
   32    30 S   HC   HA32    28     1.09511   107.42815    66.34097
   33    29 S   CT   _C11    36     1.83845    98.97843   174.09382
   34    33 S   HC   _H8_    37     1.09655   107.11440   -57.25222
   35    30 S   CO3  _C3_    29     1.52913   114.11461  -172.25549
   36    35 S   O2Z  _O31    30     1.26361   116.05281     0.89787
   37    35 S   O2Z  _O32    31     1.26421   114.41138  -179.13679
   38    33 S   CT   _C12    38     1.54398   109.39563  -177.57974
   39    38 S   HC   _H9_    39     1.09908   109.54370   -56.26042
   40    33 S   OS   _O33    53     1.43558   109.66648    59.98487
   41    38 S   CT   _C8_    40     1.53051   108.67113  -174.77967
   42    41 S   HC   _H5_    41     1.10009   109.27497   -66.90442
   43    38 S   CO3  _C13    83     1.53913   113.57538    67.12125
   44    43 S   O2Z  _O35    84     1.26297   116.05983    40.81791
   45    43 S   O2Z  _O34    85     1.26441   114.53164  -139.80294
   46    41 S   CT   _C7_    42     1.52300   117.76478   168.96995
   47    46 S   HC   _H18    43     1.09687   111.54842   -39.87897
   48    46 S   HC   _H19    44     1.09493   111.79595    80.44462
   49    46 S   CT   _C6_    45     1.53940   103.82690  -159.70219
   50    49 S   HC   _H4_    46     1.09565   110.85510  -102.40471
   51    49 S   CT   _C5_    47     1.55094   106.96613    19.52932
   52    51 S   HC   _H3_    48     1.09704   111.05803   125.71618
   53    49 S   OH   _O42    81     1.42188   109.77966   138.56893
   54    53 S   HO   _H26    82     0.97250   107.35151    58.04653
   55    41 S   CT   _C9_    49     1.52568   109.83209    53.57710
   56    55 S   HC   _H6_    50     1.10258   108.46761    58.16608
   57    51 S   CT   _C4_    77     1.52871   110.94577  -114.30942
   58    57 S   HC   _H15    78     1.09454   112.05069    60.11978
   59    57 S   HC   _H16    79     1.09543   110.31653   -59.93824
   60    57 S   HC   _H17    80     1.09427   111.09973  -178.80860
   61    55 S   CO   _C10    51     1.52259   109.78696   -58.85404
   62    61 S   HC   _H7_    52     1.09764   111.20699   -58.56773
   63    61 S   OS1  _O36    54     1.42846   107.64819  -179.30086
   64    63 S   CO1  _C14    55     1.43144   113.33930   161.13160
   65    64 S   HC   _H10    56     1.09832   108.14004   -55.89321
   66    64 S   CT   _C15    57     1.53542   107.84352  -173.64976
   67    66 S   HC   _H11    58     1.09586   110.59584    58.11365
   68    66 S   CT   _C16    59     1.53024   109.67465  -179.35260
   69    68 S   HC   _H12    60     1.09738   108.30469   -67.97245
   70    66 S   OH5  _O41    75     1.43067   109.41085   -58.35713
   71    70 S   HO   _H25    76     0.97295   106.85447  -172.39393
   72    68 S   CT   _C17    61     1.53368   111.92015    52.01237
   73    72 S   HC   _H13    62     1.09572   109.75948  -173.18497
   74    68 S   OH5  _O40    73     1.42483   109.68658   175.10515
   75    74 S   HO   _H24    74     0.97295   107.50298   175.62915
   76    72 S   CT   _C18    63     1.53852   109.69710   -51.17480
   77    76 S   HC   _H14    64     1.09840   108.71134   -64.75196
   78    72 S   OH5  _O39    71     1.42827   110.34057    69.69489
   79    78 S   HO   _H23    72     0.97265   107.33960    47.68669
   80    64 S   OS1  _O37    65     1.43144   112.63138    64.49670
   81    76 S   CT   _C19    66     1.52729   113.01731   175.03521
   82    81 S   HC   _H20    67     1.09534   111.46356   -62.36582
   83    81 S   HC   _H21    68     1.09504   109.79448   178.97473
   84    81 S   OH5  _O38    69     1.41920   110.37378    59.39196
   85    84 S   HO   _H22    70     0.97288   106.82145  -178.67426
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  15   8   9  18   9   4   1   1  12   6   5
  12   6  12   8   3   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    55    61    62    40    63    43    44    45  
   38    39    41    61    40    43  
   36    37  
   37  
    0  
   39    41    42    46    47    48    49    51    55    56    61    40    43    44    45  
   41    42    46    55    40    43    44    45  
   63    64    43    41    51    55    56    61    62  
   42    46    47    48    49    50    51    52    55    56    61    62    63    57    53    43    44    45  
   46    47    48    49    51    55    56    61    43  
   44    45    46    55  
   45  
    0  
   47    48    49    50    51    52    55    56    61    57    53    54  
   48    49    50    51    55    53  
   49    50    51    55    53  
   50    51    52    55    56    61    57    58    59    60    53    54  
   51    52    55    57    53    54  
   52    55    56    61    62    63    57    58    59    60    53    54  
   55    56    61    57    58    59    60    53  
   54    55    57  
    0  
   56    61    62    63    64    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    80  
   63    64  
   64    65    66    67    68    76    80    70  
   65    66    67    68    69    72    76    77    80    81    74    70    71  
   66    67    68    76    80    70  
   67    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    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  -0.316400   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   0.318900   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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    55   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   268.000  1.529
   55    56   340.000  1.090
   55    61   250.000  1.527
   61    62   340.000  1.090
   61    40   320.000  1.380
   61    63   320.000  1.380
   63    64   370.000  1.399
   64    65   360.000  1.097
   64    66   255.000  1.525
   64    80   370.000  1.399
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    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
   70    71   580.000  0.967
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    40    61    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    46    58.35000  112.70000
   38    41    55    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   41    38    39    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    58.35000  112.70000
   41    55    51    58.35000  112.70000
   41    55    56    37.50000  110.70000
   41    55    61    75.00000  109.43000
   46    41    42    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    53    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    55    58.35000  112.70000
   49    51    57    58.35000  112.70000
   49    53    54    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    61    75.00000  109.43000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   55    41    42    37.50000  110.70000
   55    41    46    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    61    62    45.00000  112.01100
   55    61    40    90.00000  108.56700
   55    61    63    90.00000  108.56700
   61    55    56    45.00000  108.72000
   61    63    64    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    61    62    35.00000  109.50000
   63    61    62    35.00000  109.50000
   63    61    40    92.60000  111.55000
   63    64    65    60.00000  105.75400
   63    64    66    90.00000  109.70700
   63    64    80   110.00000  113.16000
   64    66    67    45.00000  109.54000
   64    66    68    70.00000  111.10000
   64    66    70    90.00000  109.42000
   64    80    76    90.00000  112.10700
   66    64    65    45.00000  111.65000
   66    68    69    37.50000  110.70000
   66    68    72    58.35000  112.70000
   66    68    74    90.00000  111.45300
   66    70    71    65.00000  108.53500
   68    66    67    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    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    64    65    60.00000  105.75400
   80    64    66    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    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    66    67    60.00000  109.39000
   70    66    68    90.00000  111.45300
   57    51    52    37.50000  110.70000
   57    51    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    70.00000  109.69300
   45    43    44    80.00000  126.00000
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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    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    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    61   0.14700  1.0 1.0
   29    33    40    61  -1.16150 -1.0 2.0
   29    33    40    61   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    38    41    55   0.56750  1.0 1.0
   33    38    41    55  -0.07550 -1.0 2.0
   33    38    41    55   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    61   0.37050  1.0 3.0
   38    33    40    61   0.06250  1.0 1.0
   38    33    40    61  -0.01100 -1.0 2.0
   38    33    40    61   0.28050  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    48   0.15000  1.0 3.0
   38    41    46    49   0.56750  1.0 1.0
   38    41    46    49  -0.07550 -1.0 2.0
   38    41    46    49   0.20000  1.0 3.0
   38    41    55    51   0.56750  1.0 1.0
   38    41    55    51  -0.07550 -1.0 2.0
   38    41    55    51   0.20000  1.0 3.0
   38    41    55    56   0.15000  1.0 3.0
   38    41   -55    61   3.97050  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   39    38    41    55   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   41    38    43    44   0.41150 -1.0 2.0
   41    38    43    45   0.41150 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46   -49    51   0.56750  1.0 1.0
   41    46   -49    51  -0.07550 -1.0 2.0
   41    46   -49    51   0.20000  1.0 3.0
   41    46    49    53   0.86500  1.0 1.0
   41    46    49    53  -0.17500 -1.0 2.0
   41    46    49    53   0.20800  1.0 3.0
   41    55    61    62   0.15000  1.0 3.0
   41    55    61    40   0.62750  1.0 1.0
   41    55    61    40  -0.30950 -1.0 2.0
   41    55    61    40   0.27300  1.0 3.0
   41    55    61    63   0.62750  1.0 1.0
   41    55    61    63  -0.30950 -1.0 2.0
   41    55    61    63   0.27300  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    55    51   0.15000  1.0 3.0
   42    41    55    56   0.15000  1.0 3.0
   42    41    55    61   0.15000  1.0 3.0
   46    41   -55    51   0.56750  1.0 1.0
   46    41   -55    51  -0.07550 -1.0 2.0
   46    41   -55    51   0.20000  1.0 3.0
   46    41    55    56   0.15000  1.0 3.0
   46    41    55    61   3.97050  1.0 1.0
   46    49    51    52   0.15000  1.0 3.0
   46    49   -51    55   0.56750  1.0 1.0
   46    49   -51    55  -0.07550 -1.0 2.0
   46    49   -51    55   0.20000  1.0 3.0
   46    49    51    57   0.56750  1.0 1.0
   46    49    51    57  -0.07550 -1.0 2.0
   46    49    51    57   0.20000  1.0 3.0
   46    49    53    54  -0.11600  1.0 1.0
   46    49    53    54  -0.09450 -1.0 2.0
   46    49    53    54   0.21250  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    53   0.23400  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    53   0.23400  1.0 3.0
   49    51   -55    41   0.56750  1.0 1.0
   49    51   -55    41  -0.07550 -1.0 2.0
   49    51   -55    41   0.20000  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    61   3.97050  1.0 1.0
   49    51    57    58   0.15000  1.0 3.0
   49    51    57    59   0.15000  1.0 3.0
   49    51    57    60   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.15000  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54  -0.11600  1.0 1.0
   51    49    53    54  -0.09450 -1.0 2.0
   51    49    53    54   0.21250  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    40   0.62750  1.0 1.0
   51    55    61    40  -0.30950 -1.0 2.0
   51    55    61    40   0.27300  1.0 3.0
   51    55    61    63   0.62750  1.0 1.0
   51    55    61    63  -0.30950 -1.0 2.0
   51    55    61    63   0.27300  1.0 3.0
   52    51    55    41   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   55    41    46    47   0.15000  1.0 3.0
   55    41    46    48   0.15000  1.0 3.0
   55    41   -46    49   0.56750  1.0 1.0
   55    41   -46    49  -0.07550 -1.0 2.0
   55    41   -46    49   0.20000  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    60   0.15000  1.0 3.0
   55    61   -40    33   0.06250  1.0 1.0
   55    61   -40    33  -0.01100 -1.0 2.0
   55    61   -40    33   0.28050  1.0 3.0
   55    61    63    64   0.06250  1.0 1.0
   55    61    63    64  -0.01100 -1.0 2.0
   55    61    63    64   0.28050  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    40   0.23400  1.0 3.0
   56    55    61    63   0.23400  1.0 3.0
   61    63    64    65   0.37050  1.0 3.0
   61    63    64    66   0.06250  1.0 1.0
   61    63    64    66  -0.01100 -1.0 2.0
   61    63    64    66   0.28050  1.0 3.0
   61    63    64    80  -0.12700  1.0 1.0
   61    63    64    80  -1.16200 -1.0 2.0
   61    63    64    80   0.58800  1.0 3.0
   62    61    40    33   0.37050  1.0 3.0
   62    61    63    64   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -3.35100  1.0 1.0
   40    33    38    43  -0.37050 -1.0 2.0
   40    33    38    43   0.22400  1.0 3.0
   40    61    63    64  -0.53350  1.0 1.0
   40    61    63    64  -0.78350 -1.0 2.0
   40    61    63    64   0.33750  1.0 3.0
   63    61    40    33  -0.81800  1.0 1.0
   63    64    66    67   0.23400  1.0 3.0
   63    64    66    68   0.62750  1.0 1.0
   63    64    66    68  -0.30950 -1.0 2.0
   63    64    66    68   0.27300  1.0 3.0
   63    64    66    70   1.51850  1.0 1.0
   63    64    80    76  -0.70400  1.0 1.0
   63    64    80    76  -0.90350 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    72   0.56750  1.0 1.0
   64    66    68    72  -0.07550 -1.0 2.0
   64    66    68    72   0.20000  1.0 3.0
   64    66    68    74  -0.47750  1.0 1.0
   64    66    70    71   0.29150  1.0 1.0
   64    66    70    71  -0.28350 -1.0 2.0
   64    66    70    71   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    80    76   0.37050  1.0 3.0
   66    64    80    76   0.06250  1.0 1.0
   66    64    80    76  -0.01100 -1.0 2.0
   66    64    80    76   0.28050  1.0 3.0
   66    68    72    73   0.15000  1.0 3.0
   66    68   -72    76   0.56750  1.0 1.0
   66    68   -72    76  -0.07550 -1.0 2.0
   66    68   -72    76   0.20000  1.0 3.0
   66    68    72    78  -0.47750  1.0 1.0
   66    68    74    75   0.29150  1.0 1.0
   66    68    74    75  -0.28350 -1.0 2.0
   66    68    74    75   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    66    70    71   0.29150  1.0 1.0
   68    66    70    71  -0.28350 -1.0 2.0
   68    66    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    64   0.06250  1.0 1.0
   72    76   -80    64  -0.01100 -1.0 2.0
   72    76   -80    64   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    64   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    64    66    67   0.23400  1.0 3.0
   80    64   -66    68   0.62750  1.0 1.0
   80    64   -66    68  -0.30950 -1.0 2.0
   80    64   -66    68   0.27300  1.0 3.0
   80    64    66    70   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    64   0.06250  1.0 1.0
   81    76    80    64  -0.01100 -1.0 2.0
   81    76    80    64   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    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72  -0.47750  1.0 1.0
   70    66    68    74   3.77950  1.0 1.0
   57    51    55    41   0.56750  1.0 1.0
   57    51    55    41  -0.07550 -1.0 2.0
   57    51    55    41   0.20000  1.0 3.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    61   3.97050  1.0 1.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55   0.86500  1.0 1.0
   53    49    51    55  -0.17500 -1.0 2.0
   53    49    51    55   0.20800  1.0 3.0
   53    49    51    57   0.86500  1.0 1.0
   53    49    51    57  -0.17500 -1.0 2.0
   53    49    51    57   0.20800  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    46  -1.63150  1.0 1.0
   43    38    41    46  -0.43550 -1.0 2.0
   43    38    41    46   0.24500  1.0 3.0
   43    38    41    55  -1.63150  1.0 1.0
   43    38    41    55  -0.43550 -1.0 2.0
   43    38    41    55   0.24500  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
   44    38    43    45  10.50000 -1.0 2.0
END
