* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    161    226     453
    1     0 S   NP   _N1_     1    29.84869    99.14043   -16.34376
    2     1 S   H    _HN1     2     1.02954    67.05953    17.50061
    3     1 S   H    _H1_     3     1.02830    71.62895   135.98612
    4     1 S   H    _H2_     4     1.02782    68.02016  -105.13532
    5     1 S   CT   _CA1     5     1.50110   177.14906   -10.24469
    6     5 S   HC   _HA1     6     1.09571   105.24438  -155.02693
    7     5 S   CO3  _C1_     7     1.53885   112.28886    84.68165
    8     7 S   O2Z  _O11     8     1.26383   115.00767   -45.07932
    9     7 S   O2Z  _O12     9     1.26241   114.94363   133.93802
   10     5 S   CT   _CB1    10     1.53077   107.40941   -37.02884
   11    10 S   HC   HB11    11     1.09828   109.63752   -49.27060
   12    10 S   HC   HB12    12     1.09777   110.31335    67.29430
   13    10 S   CT   _CG1    13     1.52939   112.49095  -170.15741
   14    13 S   HC   HG11    14     1.09574   110.62151   -60.11961
   15    13 S   HC   HG12    15     1.09658   109.83920    58.98931
   16    13 S   C    _CD1    16     1.51795   112.36891   179.64392
   17    16 S   O    _OE1    17     1.22713   123.36299     2.37158
   18    16 S   N    _N2_    18     1.38566   111.47298  -178.01811
   19    18 S   H    _HN2    19     1.01582   118.87267     2.50085
   20    18 S   CT1  _CA2    20     1.46252   123.67509  -178.39636
   21    20 S   HC   _HA2    21     1.09725   109.45096    -5.19029
   22    20 S   C    _C2_    22     1.53388   108.52164  -120.88757
   23    22 S   O    _O2_    23     1.23036   122.36836  -148.41032
   24    20 S   CT   _CB2    32     1.53408   110.98323   116.86989
   25    24 S   HC   HB21    33     1.09354   109.27446    55.77909
   26    24 S   HC   HB22    34     1.09507   110.70587   174.31959
   27    22 S   N    _N3_    24     1.38369   113.54695    39.11656
   28    27 S   H    _HN3    25     1.01629   119.49247    -3.61254
   29    24 S   S    _SG2    35     1.82892   110.95979   -66.51417
   30    27 S   CT   _CA3    26     1.45278   123.11168   176.96759
   31    30 S   HC   HA31    27     1.09554   107.52278   -63.94496
   32    30 S   HC   HA32    28     1.09561   107.94385    52.45250
   33    29 S   CT   _C19    36     1.87419   101.74091   154.91034
   34    30 S   CO3  _C3_    29     1.52928   114.16482   174.45574
   35    34 S   O2Z  _O31    30     1.26362   116.08632    -0.31898
   36    34 S   O2Z  _O32    31     1.26434   114.40182   179.73459
   37    33 S   CT   _C20    37     1.55544   105.34996   145.46141
   38    37 S   HC   _H22    38     1.09697   109.53929   171.77572
   39    37 S   HC   _H23    39     1.09656   110.61656    53.69446
   40    33 S   CT   _C5_    47     1.58952   111.10882   -94.80434
   41    40 S   HC   _H3_    48     1.09924   105.50361  -176.15804
   42    33 S   OS   _O36    86     1.44182   108.80610    27.02640
   43    37 S   CO4  _C21    40     1.52133   115.91842   -67.96726
   44    43 S   O    _O34    41     1.22227   126.18835    -8.03475
   45    40 S   CT   _C4_    49     1.54355   112.25629    69.61612
   46    45 S   HC   _H5_    50     1.09322   112.07873   -72.82913
   47    45 S   HC   _H6_    51     1.09475   110.98897   167.13515
   48    45 S   HC   _H7_    52     1.09393   111.71232    48.70896
   49    40 S   CT   _C6_    53     1.56541   115.84644   -59.87413
   50    49 S   HC   _H4_    54     1.09470   109.15983   -43.92969
   51    42 S   CT   _C23    87     1.41934   118.24167   174.42501
   52    51 S   HC   _H27    88     1.09400   107.60682  -178.58986
   53    51 S   HC   _H28    89     1.09202   111.69693    63.67391
   54    51 S   HC   _H29    90     1.09213   111.85609   -60.67502
   55    43 S   OS   _O35    42     1.36805   108.46960   172.93995
   56    49 S   CM   _C7_    55     1.51315   111.13067  -164.03615
   57    56 S   HC   _H8_    56     1.08792   116.58343   -73.04900
   58    49 S   OS   _O33    81     1.43162   110.08193    76.12617
   59    55 S   CT   _C22    43     1.43064   115.21436   179.64392
   60    59 S   HC   _H24    44     1.09330   108.10374   179.52936
   61    59 S   HC   _H25    45     1.09425   110.31087    60.83903
   62    59 S   HC   _H26    46     1.09422   110.26801   -61.79198
   63    56 S   CM   _C8_    57     1.34353   123.64963   108.16843
   64    63 S   HC   _H9_    58     1.08809   118.03702    -0.74782
   65    58 S   CT   _C18    82     1.42255   113.39009  -156.24410
   66    65 S   HC   _H19    83     1.09256   108.20443   178.10071
   67    65 S   HC   _H20    84     1.09423   110.51924    59.63691
   68    65 S   HC   _H21    85     1.09364   110.97964   -62.99080
   69    63 S   C5B  _C9_    59     1.42740   125.16670   179.27476
   70    69 S   C5A  _C10    60     1.37905   124.08192   179.38643
   71    70 S   HA   _H10    61     1.08116   129.18829    -0.05595
   72    70 S   SA   _S1_    62     1.71462   109.54382   179.92598
   73    72 S   CRA  _C11    63     1.72057    89.68908    -0.11535
   74    73 S   C5B  _C12    64     1.48694   122.53610  -179.78694
   75    69 S   N5B  _N4_    80     1.38119   120.30745    -0.67609
   76    74 S   C5A  _C13    65     1.38037   122.73269   178.57605
   77    76 S   HA   _H11    66     1.08140   129.03444    -0.10087
   78    76 S   SA   _S2_    67     1.71334   109.81024   179.97202
   79    78 S   CRA  _C14    68     1.72115    89.63869     0.02798
   80    74 S   N5B  _N5_    69     1.38351   122.00631    -1.40528
   81    79 S   CT   _C15    70     1.50582   120.35885   180.00000
   82    81 S   HC   _H12    71     1.09763   109.86663    -0.02798
   83    81 S   CT   _C16    72     1.52911   110.44868  -118.68126
   84    83 S   HC   _H13    73     1.09603   111.62893   -61.73858
   85    83 S   HC   _H14    74     1.09524   110.73731   178.00492
   86    83 S   HC   _H15    75     1.09580   110.92594    58.27535
   87    81 S   CT   _C17    76     1.52912   110.45098   118.62008
   88    87 S   HC   _H16    77     1.09603   111.62835    61.72825
   89    87 S   HC   _H17    78     1.09579   110.92555   -58.28578
   90    87 S   HC   _H18    79     1.09524   110.73926  -178.01594
  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  11   5   4   3
  21   2   1   1  12   6   5  15   9   7   6   2   7   3   2   1
  11   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3
   3   2   1   1   6   5   3   5   7   7   2   5   3   6  11   4
   9   8   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    45    49    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    55    40    41    45    46    47    48    49    50    56    58    42    51    52    53    54  
   35    36  
   36  
    0  
   38    39    43    44    55    59    40    41    45    49    42    51  
   39    43    44    55    40    42  
   43    44    55    40    42  
   41    45    46    47    48    49    50    56    57    63    58    65    42    51    43  
   45    46    47    48    49    50    56    58    42  
   51    52    53    54    43    45    49  
   44    55    59    60    61    62  
   55    59  
   46    47    48    49    50    56    58  
   47    48    49  
   48    49  
   49  
   50    56    57    63    64    69    58    65    66    67    68  
   56    57    63    58    65  
   52    53    54  
   53    54  
   54  
    0  
   59    60    61    62  
   57    63    64    69    70    75    58    65  
   63    64    69    58  
   65    66    67    68    63  
   60    61    62  
   61    62  
   62  
    0  
   64    69    70    71    72    73    75  
   69    70    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    75  
   73    74    76    80    75  
   74    76    77    78    79    80    75  
   76    77    78    79    80    81    75  
   76    80  
   77    78    79    80    81  
   78    79    80  
   79    80    81    82    83    87  
   80    81    82    83    84    85    86    87    88    89    90  
   81    82    83    87  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   72   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   75   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   78   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   79   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   81   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    56   317.000  1.510
   49    58   320.000  1.410
   56    57   340.000  1.080
   56    63   549.000  1.340
   63    64   340.000  1.080
   63    69   320.000  1.460
   69    70   520.000  1.370
   69    75   410.000  1.394
   70    71   367.000  1.080
   70    72   265.000  1.745
   72    73   250.000  1.765
   73    74   330.000  1.454
   73    75   488.000  1.335
   74    76   520.000  1.370
   74    80   410.000  1.394
   76    77   367.000  1.080
   76    78   265.000  1.745
   78    79   250.000  1.765
   79    80   488.000  1.335
   79    81   295.000  1.488
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    45    58.35000  112.70000
   33    40    49    58.35000  112.70000
   33    42    51    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    55    81.00000  111.40000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    55    59    83.00000  116.90000
   55    43    44    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    56    70.00000  112.02700
   40    49    58    50.00000  109.50000
   45    40    41    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    40    41    37.50000  110.70000
   49    40    45    58.35000  112.70000
   49    56    57    35.00000  117.00000
   49    56    63    70.00000  124.00000
   49    58    65    60.00000  109.50000
   56    49    50    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    69    60.00000  123.20500
   63    56    57    35.00000  120.00000
   63    69    70    60.00000  120.93500
   63    69    75    70.00000  118.40000
   69    63    64    40.00000  117.26300
   69    70    71    35.00000  130.70000
   69    70    72    80.00000  111.29200
   69    75    73    70.00000  110.00000
   70    72    73   120.00000   89.04400
   72    70    71    40.00000  122.38200
   72    73    74    65.00000  123.00000
   72    73    75    80.00000  114.57700
   73    74    76    55.00000  131.00000
   73    74    80    70.00000  121.90000
   74    76    77    35.00000  130.70000
   74    76    78    80.00000  111.29200
   74    80    79    70.00000  110.00000
   76    78    79   120.00000   89.04400
   78    76    77    40.00000  122.38200
   78    79    80    80.00000  114.57700
   78    79    81    65.00000  125.49400
   79    81    82    45.00000  109.19200
   79    81    83    70.00000  112.56400
   79    81    87    70.00000  112.56400
   80    74    76    70.00000  111.00000
   81    79    80    65.00000  125.57700
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   75    69    70    70.00000  111.00000
   75    73    74    65.00000  126.92000
   58    49    50    35.00000  109.50000
   58    49    56    85.00000  110.90400
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   29    33    40    49   0.44750  1.0 1.0
   29    33    40    49  -0.17800 -1.0 2.0
   29    33    40    49   0.20200  1.0 3.0
   29    33    42    51   0.14700  1.0 1.0
   29    33    42    51  -1.16150 -1.0 2.0
   29    33    42    51   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    55   0.36750  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   33    40    49    50   0.15000  1.0 3.0
   33    40    49    56   0.34400  1.0 1.0
   33    40    49    56   0.09450 -1.0 2.0
   33    40    49    56   0.11100  1.0 3.0
   33    40    49    58   0.62750  1.0 1.0
   33    40    49    58  -0.30950 -1.0 2.0
   33    40    49    58   0.27300  1.0 3.0
   33    42    51    52   0.37050  1.0 3.0
   33    42    51    53   0.37050  1.0 3.0
   33    42    51    54   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    33    40    49   0.56750  1.0 1.0
   37    33    40    49  -0.07550 -1.0 2.0
   37    33    40    49   0.20000  1.0 3.0
   37    33    42    51   0.06250  1.0 1.0
   37    33    42    51  -0.01100 -1.0 2.0
   37    33    42    51   0.28050  1.0 3.0
   37    43    55    59   1.63150  1.0 1.0
   37    43    55    59   2.92000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    55   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    55   0.00000  1.0 1.0
   43    55    59    60   0.08050  1.0 3.0
   43    55    59    61   0.08050  1.0 3.0
   43    55    59    62   0.08050  1.0 3.0
   44    43    55    59   3.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    42    51   0.06250  1.0 1.0
   40    33    42    51  -0.01100 -1.0 2.0
   40    33    42    51   0.28050  1.0 3.0
   40    49    56    57   0.00000  1.0 1.0
   40    49    56    63   0.09850  1.0 1.0
   40    49    56    63   0.15250 -1.0 2.0
   40    49    56    63  -0.50650  1.0 3.0
   40    49    58    65   0.06250  1.0 1.0
   40    49    58    65  -0.01100 -1.0 2.0
   40    49    58    65   0.28050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    56   0.15000  1.0 3.0
   41    40    49    58   0.23400  1.0 3.0
   45    40    49    50   0.15000  1.0 3.0
   45    40    49    56   0.34400  1.0 1.0
   45    40    49    56   0.09450 -1.0 2.0
   45    40    49    56   0.11100  1.0 3.0
   45    40    49    58   0.62750  1.0 1.0
   45    40    49    58  -0.30950 -1.0 2.0
   45    40    49    58   0.27300  1.0 3.0
   49    40    45    46   0.15000  1.0 3.0
   49    40    45    47   0.15000  1.0 3.0
   49    40    45    48   0.15000  1.0 3.0
   49    56    63    64   7.00000 -1.0 2.0
   49    56    63    69   7.00000 -1.0 2.0
   49    58    65    66   0.37050  1.0 3.0
   49    58    65    67   0.37050  1.0 3.0
   49    58    65    68   0.37050  1.0 3.0
   50    49    56    57   0.33100  1.0 3.0
   50    49    56    63   0.00000  1.0 1.0
   50    49    58    65   0.37050  1.0 3.0
   56    49    58    65  -0.77900  1.0 1.0
   56    49    58    65  -0.36900 -1.0 2.0
   56    49    58    65   0.40400  1.0 3.0
   56    63    69    70   0.15800  1.0 1.0
   56    63    69    70   1.85350 -1.0 2.0
   56    63    69    70  -0.48700  1.0 3.0
   56    63    69    75   0.11450  1.0 1.0
   56    63    69    75   1.85100 -1.0 2.0
   56    63    69    75  -0.49050  1.0 3.0
   57    56    63    64   7.00000 -1.0 2.0
   57    56    63    69   7.00000 -1.0 2.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    72   3.62500 -1.0 2.0
   63    69    75    73   3.62500 -1.0 2.0
   64    63    69    70   0.56550  1.0 3.0
   64    63    69    75   0.54250  1.0 3.0
   69    70   -72    73   3.62500 -1.0 2.0
   70    69   -75    73   2.40000 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    76   0.13800  1.0 1.0
   72    73    74    76   0.61700 -1.0 2.0
   72    73    74    76   0.18800  1.0 3.0
   72    73    74    80  -0.86650  1.0 1.0
   72    73    74    80   1.49250 -1.0 2.0
   72    73    74    80   0.28400  1.0 3.0
   72    73   -75    69   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   73    74    80    79   3.62500 -1.0 2.0
   74    73    75    69   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   76    74   -80    79   2.40000 -1.0 2.0
   76    78   -79    80   3.62500 -1.0 2.0
   76    78    79    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    79   -80    74   3.62500 -1.0 2.0
   78    79    81    82   0.00000  1.0 1.0
   78    79    81    83  -1.00500  1.0 1.0
   78    79    81    83  -0.91300 -1.0 2.0
   78    79    81    83   0.11400  1.0 3.0
   78    79    81    87  -1.00500  1.0 1.0
   78    79    81    87  -0.91300 -1.0 2.0
   78    79    81    87   0.11400  1.0 3.0
   79    81    83    84   0.43200  1.0 3.0
   79    81    83    85   0.43200  1.0 3.0
   79    81    83    86   0.43200  1.0 3.0
   79    81    87    88   0.43200  1.0 3.0
   79    81    87    89   0.43200  1.0 3.0
   79    81    87    90   0.43200  1.0 3.0
   80    74    76    77   3.62500 -1.0 2.0
   80    74   -76    78   3.62500 -1.0 2.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.29300  1.0 1.0
   80    79    81    83  -1.19700 -1.0 2.0
   80    79    81    83   0.60900  1.0 3.0
   80    79    81    87   0.29300  1.0 1.0
   80    79    81    87  -1.19700 -1.0 2.0
   80    79    81    87   0.60900  1.0 3.0
   81    79    80    74   3.62500 -1.0 2.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   87    81    83    84   0.15000  1.0 3.0
   87    81    83    85   0.15000  1.0 3.0
   87    81    83    86   0.15000  1.0 3.0
   75    69    70    71   3.62500 -1.0 2.0
   75    69   -70    72   3.62500 -1.0 2.0
   75    73    74    76   0.04300  1.0 1.0
   75    73    74    76   0.58850 -1.0 2.0
   75    73    74    76   0.22750  1.0 3.0
   75    73    74    80   0.60800  1.0 1.0
   75    73    74    80   1.31550 -1.0 2.0
   75    73    74    80   1.01100  1.0 3.0
   58    49    56    57   0.00000  1.0 1.0
   58    49    56    63   0.39000  1.0 1.0
   58    49    56    63  -0.05800 -1.0 2.0
   58    49    56    63  -0.55150  1.0 3.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   0.62750  1.0 1.0
   42    33    40    45  -0.30950 -1.0 2.0
   42    33    40    45   0.27300  1.0 3.0
   42    33    40    49   0.62750  1.0 1.0
   42    33    40    49  -0.30950 -1.0 2.0
   42    33    40    49   0.27300  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
   35    30    34    36  10.50000 -1.0 2.0
   37    55    43    44  10.50000 -1.0 2.0
   49    57    56    63  15.00000 -1.0 2.0
   69    64    63    56  15.00000 -1.0 2.0
   70    75    69    63   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    75    73    72   4.00000 -1.0 2.0
   76    80    74    73   4.00000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   81    80    79    78   4.00000 -1.0 2.0
END
