* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    156    221     451
    1     0 S   NP   _N1_     1    29.08441    99.21089   -21.50088
    2     1 S   H    _HN1     2     1.02923   105.57210   -99.14450
    3     1 S   H    _H1_     3     1.02798    45.20350     2.00847
    4     1 S   H    _H2_     4     1.02931    65.78444   158.98928
    5     1 S   CT   _CA1     5     1.50085   141.99868    66.91413
    6     5 S   HC   _HA1     6     1.09376   104.36039   140.10799
    7     5 S   CO3  _C1_     7     1.54028   111.24756    23.50031
    8     7 S   O2Z  _O11     8     1.26104   116.16409   -95.57676
    9     7 S   O2Z  _O12     9     1.26502   114.00514    82.33851
   10     5 S   CT   _CB1    10     1.53014   107.60811  -104.24237
   11    10 S   HC   HB11    11     1.09724   109.80788   -44.24240
   12    10 S   HC   HB12    12     1.09727   110.88550    72.62913
   13    10 S   CT   _CG1    13     1.53002   111.61138  -164.60207
   14    13 S   HC   HG11    14     1.09538   110.83242   -64.73461
   15    13 S   HC   HG12    15     1.09625   109.48483    54.48270
   16    13 S   C    _CD1    16     1.51570   112.37450   174.28379
   17    16 S   O    _OE1    17     1.22771   123.26988    12.42115
   18    16 S   N    _N2_    18     1.38546   111.76106  -167.43117
   19    18 S   H    _HN2    19     1.01915   119.57875    -2.57906
   20    18 S   CT1  _CA2    20     1.46002   122.68317   178.62941
   21    20 S   HC   _HA2    21     1.09693   108.38240    35.86911
   22    20 S   C    _C2_    22     1.53213   109.03648   -80.97452
   23    22 S   O    _O2_    23     1.23099   121.24252   153.45640
   24    20 S   CT   _CB2    32     1.53355   112.07707   159.00243
   25    24 S   HC   HB21    33     1.09217   109.66489    64.42303
   26    24 S   HC   HB22    34     1.09533   109.43305  -178.10824
   27    22 S   N    _N3_    24     1.38300   114.20891   -33.78984
   28    27 S   H    _HN3    25     1.01681   119.13011     1.88668
   29    24 S   S    _SG2    35     1.82912   111.13895   -58.13194
   30    27 S   CT   _CA3    26     1.45242   123.46734  -177.16165
   31    30 S   HC   HA31    27     1.09553   108.30811   -42.59619
   32    30 S   HC   HA32    28     1.09518   107.37973    73.94129
   33    29 S   CT   _C21    36     1.86735   101.99835   158.51762
   34    33 S   OM   _O38    37     1.31979   107.03922   178.12842
   35    30 S   CO3  _C3_    29     1.52893   113.79564  -165.29833
   36    35 S   O2Z  _O31    30     1.26379   116.05828   -15.93036
   37    35 S   O2Z  _O32    31     1.26405   114.61959   163.70026
   38    33 S   CT   _C20    38     1.57117   113.76014   -60.12646
   39    38 S   HC   _H22    39     1.10246   109.06178    77.26764
   40    38 S   HC   _H23    40     1.10370   109.03564  -171.36601
   41    33 S   S    _S1_    84     1.87763   107.12025    62.59557
   42    38 S   CMA  _C19    41     1.55416   119.77692   -49.29378
   43    42 S   OM   _O37    42     1.26246   111.62953   100.46911
   44    41 S   CT   _C22    85     1.81325   101.92353  -176.56806
   45    44 S   HC   _H24    86     1.09376   108.49022  -172.60928
   46    44 S   HC   _H25    87     1.09249   110.77364    69.33684
   47    44 S   HC   _H26    88     1.09253   111.56283   -53.79546
   48    42 S   CM   _C18    43     1.35116   116.17683   -82.51256
   49    48 S   HC   _H21    44     1.08824   119.41394     4.06659
   50    48 S   CO4  _C17    45     1.49437   128.12056  -176.36703
   51    50 S   O    _O39    46     1.23347   118.52313  -160.53918
   52    50 S   CT   _C16    47     1.51054   120.88854    21.38502
   53    52 S   HC   _H19    48     1.09636   107.63404   149.08303
   54    52 S   HC   _H20    49     1.09396   109.71376    34.07906
   55    52 S   CO4  _C15    50     1.51092   114.55394   -90.86294
   56    55 S   O    _O36    51     1.23121   122.13599   -21.67319
   57    55 S   CT   _C14    52     1.51737   117.06425   159.91182
   58    57 S   HC   _H17    53     1.09270   106.99496  -164.25689
   59    57 S   HC   _H18    54     1.09543   108.03126   -48.95233
   60    57 S   CT   _C13    55     1.52624   112.21366    74.06342
   61    60 S   HC   _H3_    56     1.09557   109.72509   -50.15893
   62    60 S   CT   _C12    57     1.53040   113.12029  -170.27656
   63    62 S   HC   _H15    58     1.09598   109.80074    67.09515
   64    62 S   HC   _H16    59     1.09655   110.49298  -174.96289
   65    60 S   OH   _O40    82     1.42570   110.57104    66.35396
   66    65 S   HO   _H27    83     0.97569   108.87727    50.20998
   67    62 S   CO4  _C11    60     1.52222   113.68969   -54.98763
   68    67 S   O    _O35    61     1.22991   120.64076   -66.80126
   69    67 S   CT   _C10    62     1.51619   116.20780   114.14472
   70    69 S   HC   _H13    63     1.09545   107.10997    65.39923
   71    69 S   HC   _H14    64     1.09521   107.86955   -52.22704
   72    69 S   CO4  _C9_    65     1.51640   117.58343  -173.21988
   73    72 S   O    _O34    66     1.22973   123.22849     7.83667
   74    72 S   CT   _C8_    67     1.51382   115.57553  -171.59748
   75    74 S   HC   _H11    68     1.09526   107.72316    80.73091
   76    74 S   HC   _H12    69     1.09315   109.55499   -36.49623
   77    74 S   CO4  _C7_    70     1.51181   114.89955  -157.68179
   78    77 S   O    _O33    71     1.23150   120.75933  -123.35997
   79    77 S   CT   _C6_    72     1.51923   117.25322    56.32923
   80    79 S   HC   _H9_    73     1.09504   108.83300    26.17599
   81    79 S   HC   _H10    74     1.09480   107.74070   -90.83222
   82    79 S   CT   _C5_    75     1.52469   112.04653   147.47227
   83    82 S   HC   _H7_    76     1.09643   109.88919   -57.16904
   84    82 S   HC   _H8_    77     1.09638   110.11075    60.14566
   85    82 S   CT   _C4_    78     1.51982   111.39025  -178.63771
   86    85 S   HC   _H4_    79     1.09471   110.98975   -60.17112
   87    85 S   HC   _H5_    80     1.09385   111.01797    60.27148
   88    85 S   HC   _H6_    81     1.09437   110.29685  -180.00000
  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
  12   6   2   1   1   9   5   4   5   6   3   3   2   1   1   7
   3   7   4   8   4   3   8   4  10   5   4   9   6  10   5   4
   2   1   7   4   8   4   3   7   4   8   4   3   8   4   9   5
   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    41    44    45    46    47  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    42  
   43    48    49    50    51    52  
   48    49    50  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52    53    54    55    56    57  
   52    53    54    55  
   53    54    55    56    57    58    59    60  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    65  
   57    58    59    60  
   58    59    60    61    62    63    64    67    65    66  
   59    60    61    62    65  
   60    61    62    65  
   61    62    63    64    67    68    69    65    66  
   62    63    64    67    65    66  
   63    64    67    68    69    70    71    72    65    66  
   64    67    68    69    65  
   67    68    69    65  
   66    67  
    0  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   270.000  1.512
   42    43   745.000  1.250
   42    48   465.000  1.376
   48    49   340.000  1.080
   48    50   320.000  1.462
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.522
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.522
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   65    66   553.000  0.945
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    85.00000  112.85300
   38    42    48    65.00000  122.18000
   40    38    39    33.00000  107.80000
   42    38    39    45.00000  110.52000
   42    38    40    45.00000  110.52000
   42    48    49    40.00000  120.50800
   42    48    50    60.00000  125.92000
   48    42    43    65.00000  137.10300
   48    50    51    80.00000  123.72100
   48    50    52    65.00000  118.62400
   50    48    49    40.00000  117.72500
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    75.00000  107.99600
   52    50    51    80.00000  120.40000
   52    55    56    80.00000  120.40000
   52    55    57    70.00000  116.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    63.00000  111.10000
   57    55    56    80.00000  120.40000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    65    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    67    63.00000  111.10000
   60    65    66    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    67    68    80.00000  120.40000
   62    67    69    70.00000  116.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    75.00000  107.99600
   69    67    68    80.00000  120.40000
   69    72    73    80.00000  120.40000
   69    72    74    70.00000  116.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    75.00000  107.99600
   74    72    73    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    63.00000  111.10000
   79    77    78    80.00000  120.40000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    50.00000  109.50000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.09700  1.0 1.0
   33    38    42    43   0.15600 -1.0 2.0
   33    38    42    43  -0.50800  1.0 3.0
   33    38    42    48   0.09850  1.0 1.0
   33    38    42    48   0.15250 -1.0 2.0
   33    38    42    48  -0.50650  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    47   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42   0.61850  1.0 1.0
   34    33    38    42  -0.22750 -1.0 2.0
   34    33    38    42   0.15300  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    48    49   7.00000 -1.0 2.0
   38    42    48    50   7.00000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48   0.00000  1.0 1.0
   42    48    50    51   1.00000 -1.0 2.0
   42    48    50    52  -0.33500  1.0 1.0
   42    48    50    52   1.06600 -1.0 2.0
   42    48    50    52  -0.14000  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    50   7.00000 -1.0 2.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.00000  1.0 1.0
   48    50    52    55   0.65300  1.0 1.0
   48    50    52    55  -0.03850 -1.0 2.0
   48    50    52    55   0.33900  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.04550  1.0 1.0
   49    48    50    52   0.83000 -1.0 2.0
   49    48    50    52  -0.04000  1.0 3.0
   50    52    55    56   0.30150 -1.0 2.0
   50    52    55    57   0.65300  1.0 1.0
   50    52    55    57  -0.03850 -1.0 2.0
   50    52    55    57   0.33900  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    57    60   0.60050  1.0 1.0
   52    55    57    60   0.05600 -1.0 2.0
   52    55    57    60   0.26150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    60    61  -0.11250  1.0 3.0
   55    57    60    62  -0.95700  1.0 1.0
   55    57    60    62  -0.18200 -1.0 2.0
   55    57    60    62   0.29450  1.0 3.0
   55    57    60    65  -0.09450  1.0 1.0
   55    57    60    65  -1.12950 -1.0 2.0
   55    57    60    65   0.54000  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    64   0.15000  1.0 3.0
   57    60    62    67  -0.95700  1.0 1.0
   57    60    62    67  -0.18200 -1.0 2.0
   57    60    62    67   0.29450  1.0 3.0
   57    60    65    66  -0.11600  1.0 1.0
   57    60    65    66  -0.09450 -1.0 2.0
   57    60    65    66   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    65   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    65   0.23400  1.0 3.0
   60    62    67    68   0.30150 -1.0 2.0
   60    62    67    69   0.60050  1.0 1.0
   60    62    67    69   0.05600 -1.0 2.0
   60    62    67    69   0.26150  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    67  -0.11250  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66  -0.11600  1.0 1.0
   62    60    65    66  -0.09450 -1.0 2.0
   62    60    65    66   0.21250  1.0 3.0
   62    67    69    70   0.00000  1.0 1.0
   62    67    69    71   0.00000  1.0 1.0
   62    67    69    72   0.65300  1.0 1.0
   62    67    69    72  -0.03850 -1.0 2.0
   62    67    69    72   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   64    62    67    69   0.00000  1.0 1.0
   67    69    72    73   0.30150 -1.0 2.0
   67    69    72    74   0.65300  1.0 1.0
   67    69    72    74  -0.03850 -1.0 2.0
   67    69    72    74   0.33900  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.30150 -1.0 2.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.65300  1.0 1.0
   69    72    74    77  -0.03850 -1.0 2.0
   69    72    74    77   0.33900  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    77    78   0.30150 -1.0 2.0
   72    74    77    79   0.65300  1.0 1.0
   72    74    77    79  -0.03850 -1.0 2.0
   72    74    77    79   0.33900  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.60050  1.0 1.0
   74    77    79    82   0.05600 -1.0 2.0
   74    77    79    82   0.26150  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83  -0.11250  1.0 3.0
   77    79    82    84  -0.11250  1.0 3.0
   77    79    82    85  -0.95700  1.0 1.0
   77    79    82    85  -0.18200 -1.0 2.0
   77    79    82    85   0.29450  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   65    60    62    63   0.23400  1.0 3.0
   65    60    62    64   0.23400  1.0 3.0
   65    60    62    67  -0.09450  1.0 1.0
   65    60    62    67  -1.12950 -1.0 2.0
   65    60    62    67   0.54000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  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
   38    43    42    48  15.00000 -1.0 2.0
   50    49    48    42  15.00000 -1.0 2.0
   48    52    50    51  10.50000 -1.0 2.0
   52    57    55    56  10.50000 -1.0 2.0
   62    69    67    68  10.50000 -1.0 2.0
   69    74    72    73  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
END
