* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    157    233     453
    1     0 S   NP   _N1_     1    29.00001    97.40038   -20.85300
    2     1 S   H    _HN1     2     1.02782    84.98332   -75.97798
    3     1 S   H    _H1_     3     1.02958    73.82419    34.74210
    4     1 S   H    _H2_     4     1.02839    49.46701   165.30709
    5     1 S   CT   _CA1     5     1.50111   158.53417   139.51474
    6     5 S   HC   _HA1     6     1.09584   105.21242    79.89643
    7     5 S   CO3  _C1_     7     1.53724   112.33577   -40.21278
    8     7 S   O2Z  _O11     8     1.26349   114.99783   -46.58091
    9     7 S   O2Z  _O12     9     1.26234   114.84835   132.49021
   10     5 S   CT   _CB1    10     1.53072   107.42199  -162.36286
   11    10 S   HC   HB11    11     1.09824   109.15074   -52.12841
   12    10 S   HC   HB12    12     1.09818   110.51639    64.36530
   13    10 S   CT   _CG1    13     1.53002   112.70129  -173.29846
   14    13 S   HC   HG11    14     1.09573   110.37760   -65.99440
   15    13 S   HC   HG12    15     1.09655   110.02224    53.21682
   16    13 S   C    _CD1    16     1.51814   112.28560   173.45015
   17    16 S   O    _OE1    17     1.22719   123.26494    -1.91704
   18    16 S   N    _N2_    18     1.38586   111.66448   178.46150
   19    18 S   H    _HN2    19     1.01616   118.99223     0.24066
   20    18 S   CT1  _CA2    20     1.46204   123.37323   179.10278
   21    20 S   HC   _HA2    21     1.09721   109.51635   -11.04525
   22    20 S   C    _C2_    22     1.53482   108.19041  -126.82042
   23    22 S   O    _O2_    23     1.23025   122.21313  -144.93765
   24    20 S   CT   _CB2    32     1.53328   111.43430   111.36924
   25    24 S   HC   HB21    33     1.09292   109.03019    55.26725
   26    24 S   HC   HB22    34     1.09443   109.97605   173.59917
   27    22 S   N    _N3_    24     1.38478   113.35756    42.26474
   28    27 S   H    _HN3    25     1.01529   118.91463    -0.84140
   29    24 S   S    _SG2    35     1.82838   111.85442   -67.32730
   30    27 S   CT   _CA3    26     1.45468   123.60725   175.18240
   31    30 S   HC   HA31    27     1.09512   109.45161    19.74568
   32    30 S   HC   HA32    28     1.09502   107.06282   136.79587
   33    29 S   CT   _C22    36     1.87895   102.29857   159.22531
   34    30 S   CO3  _C3_    29     1.52924   112.98442  -103.87309
   35    34 S   O2Z  _O31    30     1.26414   115.36587   -44.69205
   36    34 S   O2Z  _O32    31     1.26348   115.00915   136.19067
   37    33 S   CT   _C18    37     1.55536   109.97593    50.38635
   38    37 S   HC   _H48    38     1.09732   109.37464  -179.17623
   39    37 S   HC   _H49    39     1.09368   108.82502   -63.16930
   40    33 S   CT   _C19    70     1.56649   109.19085   -68.87800
   41    40 S   HC   _H50    71     1.09403   107.62954    71.08106
   42    40 S   HC   _H51    72     1.09678   108.39211  -176.82541
   43    33 S   OS   _O24    83     1.43684   106.64548   171.92562
   44    37 S   C    _C13    40     1.53086   116.50255    60.30694
   45    44 S   O    _O23    41     1.23310   120.77785    14.09885
   46    40 S   CT   _C21    73     1.56723   118.87471   -53.65183
   47    46 S   HC   _H53    74     1.09633   108.97979    47.12322
   48    43 S   CT   _C16    84     1.41928   118.22507  -169.76077
   49    48 S   HC   _H43    85     1.09390   107.72658  -171.36271
   50    48 S   HC   _H44    86     1.09281   111.07593    71.21441
   51    48 S   HC   _H45    87     1.09169   112.21655   -52.76119
   52    44 S   N    _N22    42     1.40564   116.51377  -167.24604
   53    46 S   CT   _C14    75     1.53956   110.48930   -69.69466
   54    53 S   HC   _H37    76     1.09447   111.67472   -54.31270
   55    53 S   HC   _H38    77     1.09291   111.04693    66.51332
   56    53 S   HC   _H39    78     1.09320   112.40780  -175.60377
   57    46 S   CT   _C23    79     1.56490   112.17686   164.11776
   58    57 S   Cl   CL27    80     1.79350   112.18996    60.23258
   59    57 S   Cl   CL28    81     1.80599   110.89560   -60.87702
   60    57 S   Cl   CL29    82     1.80167   111.58460  -178.49572
   61    52 S   CT   _C15    43     1.46500   117.71137   175.66727
   62    61 S   HC   _H40    44     1.09348   109.05590   108.66450
   63    61 S   HC   _H41    45     1.09324   111.75987   -10.85631
   64    61 S   HC   _H42    46     1.09311   109.67188  -130.75543
   65    52 S   CT   _C20    47     1.49109   124.42112    -1.55180
   66    65 S   HC   _H52    48     1.09364   108.54184   -16.57471
   67    65 S   CRA  _C12    49     1.51240   110.42031  -133.26047
   68    65 S   CT   _C17    56     1.54482   110.47376   101.25504
   69    68 S   HC   _H46    57     1.09833   109.72659   -40.42571
   70    68 S   HC   _H47    58     1.09769   111.48306    75.45118
   71    67 S   N5B  _N21    50     1.31793   124.92511   -87.23614
   72    68 S   CA   _C11    59     1.51088   112.91074  -160.70833
   73    71 S   C5B  _C9_    51     1.37985   109.66577  -179.97202
   74    73 S   HA   _H35    52     1.08182   119.18642   179.88986
   75    72 S   CA   _C7_    60     1.40229   120.23979    84.32363
   76    75 S   HA   _H33    61     1.08709   120.40935     1.07847
   77    73 S   C5A  _C10    53     1.37708   115.80755    -0.13988
   78    77 S   HA   _H36    54     1.08050   128.58990  -179.96044
   79    75 S   CA   _C5_    62     1.39538   120.46464  -179.12151
   80    79 S   HA   _H31    63     1.08624   119.95761  -179.87028
   81    67 S   SA   _S26    55     1.72539   119.81584    92.55320
   82    79 S   CA   _C4_    64     1.39349   120.04047     0.08847
   83    82 S   HA   _H30    65     1.08617   120.02597  -179.98022
   84    82 S   CA   _C6_    66     1.39370   119.95805    -0.06853
   85    84 S   HA   _H32    67     1.08629   119.97814  -179.96574
   86    72 S   CA   _C8_    68     1.40097   120.73349   -94.72323
   87    86 S   HA   _H34    69     1.08714   120.45608    -0.92366
  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
  18   2   1   1  13   6   5  15   6   5   6  10   3   9   8   3
   2   1   1  13   7   3   2   1   3   2   1   1   7   3   2   1
  12   7  10  11   4   3   5   9   4   3   8   4   2   1   6   3
   1   5   3   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    42    46    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    52    40    41    42    46    47    53    57    43    48    49    50    51  
   35    36  
   36  
    0  
   38    39    44    45    52    61    65    40    41    42    46    43    48  
   39    44    45    52    40    43  
   44    45    52    40    43  
   41    42    46    47    53    54    55    56    57    58    59    60    43    48    44  
   42    46    47    53    57    43  
   46    47    53    57    43  
   48    49    50    51    44    46  
   45    52    61    62    63    64    65    66    67    68  
   52    61    65  
   47    53    54    55    56    57    58    59    60  
   53    54    55    56    57    58    59    60  
   49    50    51  
   50    51  
   51  
    0  
   61    62    63    64    65    66    67    71    81    68    69    70    72  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    71    73    77    81    68    69    70    72    75    86  
   67    71    81    68    69    70    72  
   71    73    74    77    78    81    68    69    70    72  
   69    70    72    75    76    79    84    86    87    71    81  
   70    72    75    86  
   72    75    86  
   73    74    77    78    81  
   75    76    79    80    82    84    85    86    87  
   74    77    78    81  
   77    78    81  
   76    79    80    82    83    84    86    87  
   79    80    82    86  
   78    81  
   81  
   80    82    83    84    85    86  
   82    83    84  
    0  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.198400   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   58   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   59   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   60   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   61   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.125000   2.4950   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.186200   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.098100   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    52   490.000  1.335
   52    61   337.000  1.449
   52    65   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   295.000  1.488
   65    68   268.000  1.529
   67    71   488.000  1.335
   67    81   250.000  1.765
   71    73   410.000  1.394
   73    74   367.000  1.080
   73    77   520.000  1.370
   77    78   367.000  1.080
   77    81   265.000  1.745
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.510
   72    75   469.000  1.400
   72    86   469.000  1.400
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   245.000  1.781
   57    59   245.000  1.781
   57    60   245.000  1.781
   43    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    58.35000  112.70000
   33    43    48    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    52    70.00000  116.60000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    52    61    50.00000  121.90000
   44    52    65    50.00000  121.90000
   52    44    45    80.00000  122.90000
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   52    61    64    35.00000  109.50000
   52    65    66    35.00000  109.50000
   52    65    67    75.00000  107.65000
   52    65    68    70.00000  110.72300
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    52    61    50.00000  118.00000
   65    67    71    65.00000  125.57700
   65    67    81    65.00000  125.49400
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    72    70.00000  112.17500
   67    65    66    45.00000  109.19200
   67    71    73    70.00000  110.00000
   67    81    77   120.00000   89.04400
   71    73    74    35.00000  120.00000
   71    73    77    70.00000  111.00000
   73    77    78    35.00000  130.70000
   73    77    81    80.00000  111.29200
   77    73    74    35.00000  128.20000
   81    67    71    80.00000  114.57700
   81    77    78    40.00000  122.38200
   68    65    66    37.50000  110.70000
   68    65    67    70.00000  112.56400
   68    72    75    70.00000  120.00000
   68    72    86    70.00000  120.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   72    75    76    35.00000  120.00000
   72    75    79    63.00000  120.00000
   72    86    84    63.00000  120.00000
   72    86    87    35.00000  120.00000
   75    79    80    35.00000  120.00000
   75    79    82    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    84    63.00000  120.00000
   82    79    80    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   86    72    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   40    33    37    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    53    58.35000  112.70000
   40    46    57    58.35000  112.70000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    69.00000  109.80000
   46    57    59    69.00000  109.80000
   46    57    60    69.00000  109.80000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   59    57    58    80.00000  110.42200
   60    57    58    80.00000  110.42200
   60    57    59    80.00000  110.42200
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    43    48   0.14700  1.0 1.0
   29    33    43    48  -1.16150 -1.0 2.0
   29    33    43    48   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    52   1.39750  1.0 1.0
   33    37    44    52  -0.07950 -1.0 2.0
   33    37    44    52  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    53   0.56750  1.0 1.0
   33    40    46    53  -0.07550 -1.0 2.0
   33    40    46    53   0.20000  1.0 3.0
   33    40    46    57   0.56750  1.0 1.0
   33    40    46    57  -0.07550 -1.0 2.0
   33    40    46    57   0.20000  1.0 3.0
   33    43    48    49   0.37050  1.0 3.0
   33    43    48    50   0.37050  1.0 3.0
   33    43    48    51   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    46   0.56750  1.0 1.0
   37    33    40    46  -0.07550 -1.0 2.0
   37    33    40    46   0.20000  1.0 3.0
   37    33    43    48   0.06250  1.0 1.0
   37    33    43    48  -0.01100 -1.0 2.0
   37    33    43    48   0.28050  1.0 3.0
   37    44    52    61   1.49850  1.0 1.0
   37    44    52    61   1.53950 -1.0 2.0
   37    44    52    65   1.49850  1.0 1.0
   37    44    52    65   1.53950 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    52   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    52   0.00000  1.0 1.0
   44    52    61    62   0.00000  1.0 1.0
   44    52    61    63   0.00000  1.0 1.0
   44    52    61    64   0.00000  1.0 1.0
   44    52    65    66   0.00000  1.0 1.0
   44    52    65    67  -0.69800  1.0 1.0
   44    52    65    67  -0.21350 -1.0 2.0
   44    52    65    68  -0.43950  1.0 1.0
   44    52    65    68  -0.08100 -1.0 2.0
   44    52    65    68   0.03350  1.0 3.0
   45    44    52    61   3.04450 -1.0 2.0
   45    44    52    65   3.04450 -1.0 2.0
   52    65    67    71   0.04300 -1.0 2.0
   52    65    67    81   0.04300 -1.0 2.0
   52    65    68    69   0.15000  1.0 3.0
   52    65    68    70   0.15000  1.0 3.0
   52    65    68    72   0.08550  1.0 1.0
   52    65    68    72   1.07500 -1.0 2.0
   52    65    68    72  -0.10950  1.0 3.0
   61    52    65    66   0.00000  1.0 1.0
   61    52    65    67   0.17850 -1.0 2.0
   61    52    65    68  -0.05900 -1.0 2.0
   65    52    61    62   0.00000  1.0 1.0
   65    52    61    63   0.00000  1.0 1.0
   65    52    61    64   0.00000  1.0 1.0
   65    67    71    73   3.62500 -1.0 2.0
   65    67    81    77   3.62500 -1.0 2.0
   65    68    72    75   0.04150 -1.0 2.0
   65    68    72    86   0.04150 -1.0 2.0
   66    65    67    71   0.00000  1.0 1.0
   66    65    67    81   0.00000  1.0 1.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    72   0.43200  1.0 3.0
   67    65    68    69   0.43200  1.0 3.0
   67    65    68    70   0.43200  1.0 3.0
   67    65    68    72  -0.94300  1.0 1.0
   67    65    68    72   1.32550 -1.0 2.0
   67    65    68    72  -0.07100  1.0 3.0
   67    71    73    74   2.40000 -1.0 2.0
   67    71   -73    77   2.40000 -1.0 2.0
   71    67   -81    77   3.62500 -1.0 2.0
   71    73    77    78   3.62500 -1.0 2.0
   71    73   -77    81   3.62500 -1.0 2.0
   73    77   -81    67   3.62500 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    81   3.62500 -1.0 2.0
   78    77    81    67   3.62500 -1.0 2.0
   81    67   -71    73   3.62500 -1.0 2.0
   68    65    67    71   0.29300  1.0 1.0
   68    65    67    71  -1.19700 -1.0 2.0
   68    65    67    71   0.60900  1.0 3.0
   68    65    67    81  -1.00500  1.0 1.0
   68    65    67    81  -0.91300 -1.0 2.0
   68    65    67    81   0.11400  1.0 3.0
   68    72    75    76   3.62500 -1.0 2.0
   68    72    75    79   3.62500 -1.0 2.0
   68    72    86    84   3.62500 -1.0 2.0
   68    72    86    87   3.62500 -1.0 2.0
   69    68    72    75   0.00000  1.0 1.0
   69    68    72    86   0.00000  1.0 1.0
   70    68    72    75   0.00000  1.0 1.0
   70    68    72    86   0.00000  1.0 1.0
   72    75    79    80   3.62500 -1.0 2.0
   72    75    79    82   3.62500 -1.0 2.0
   75    72    86    84   3.62500 -1.0 2.0
   75    72    86    87   3.62500 -1.0 2.0
   75    79    82    83   3.62500 -1.0 2.0
   75    79   -82    84   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    82   3.62500 -1.0 2.0
   79    82    84    85   3.62500 -1.0 2.0
   79    82    84    86   3.62500 -1.0 2.0
   80    79    82    83   3.62500 -1.0 2.0
   80    79    82    84   3.62500 -1.0 2.0
   82    84   -86    72   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   85    84    86    72   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    72    75    76   3.62500 -1.0 2.0
   86    72   -75    79   3.62500 -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    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    43    48   0.06250  1.0 1.0
   40    33    43    48  -0.01100 -1.0 2.0
   40    33    43    48   0.28050  1.0 3.0
   40    46    53    54   0.15000  1.0 3.0
   40    46    53    55   0.15000  1.0 3.0
   40    46    53    56   0.15000  1.0 3.0
   40    46    57    58   0.35600  1.0 1.0
   40    46    57    58  -0.14650 -1.0 2.0
   40    46    57    58   0.33350  1.0 3.0
   40    46    57    59   0.35600  1.0 1.0
   40    46    57    59  -0.14650 -1.0 2.0
   40    46    57    59   0.33350  1.0 3.0
   40    46    57    60   0.35600  1.0 1.0
   40    46    57    60  -0.14650 -1.0 2.0
   40    46    57    60   0.33350  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    53   0.15000  1.0 3.0
   41    40    46    57   0.15000  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    53   0.15000  1.0 3.0
   42    40    46    57   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.27000  1.0 3.0
   47    46    57    59   0.27000  1.0 3.0
   47    46    57    60   0.27000  1.0 3.0
   53    46    57    58   0.35600  1.0 1.0
   53    46    57    58  -0.14650 -1.0 2.0
   53    46    57    58   0.33350  1.0 3.0
   53    46    57    59   0.35600  1.0 1.0
   53    46    57    59  -0.14650 -1.0 2.0
   53    46    57    59   0.33350  1.0 3.0
   53    46    57    60   0.35600  1.0 1.0
   53    46    57    60  -0.14650 -1.0 2.0
   53    46    57    60   0.33350  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    41   0.23400  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
   43    33    40    46   0.62750  1.0 1.0
   43    33    40    46  -0.30950 -1.0 2.0
   43    33    40    46   0.27300  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    52    44    45  10.50000 -1.0 2.0
   65    44    52    61   1.00000 -1.0 2.0
   71    81    67    65   4.00000 -1.0 2.0
   77    74    73    71   1.10000 -1.0 2.0
   81    78    77    73   1.10000 -1.0 2.0
   75    86    72    68   4.00000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   82    80    79    75   1.10000 -1.0 2.0
   84    83    82    79   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    87    86    72   1.10000 -1.0 2.0
END
