* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    165    258     472
    1     0 S   NP   _N1_     1    28.36325    96.45548   -23.24997
    2     1 S   H    _HN1     2     1.02781   103.68305  -109.02302
    3     1 S   H    _H1_     3     1.02958    77.93070    -2.83241
    4     1 S   H    _H2_     4     1.02833    32.91632   149.07996
    5     1 S   CT   _CA1     5     1.50126   137.21031   104.22671
    6     5 S   HC   _HA1     6     1.09574   105.22271    83.32942
    7     5 S   CO3  _C1_     7     1.53784   112.39751   -36.88752
    8     7 S   O2Z  _O11     8     1.26364   115.00165   -43.54423
    9     7 S   O2Z  _O12     9     1.26238   114.93234   135.60208
   10     5 S   CT   _CB1    10     1.53087   107.41888  -158.74614
   11    10 S   HC   HB11    11     1.09828   109.33304   -50.53378
   12    10 S   HC   HB12    12     1.09817   110.41701    66.01654
   13    10 S   CT   _CG1    13     1.53017   112.68333  -171.60899
   14    13 S   HC   HG11    14     1.09592   110.50235   -64.35728
   15    13 S   HC   HG12    15     1.09655   109.92432    54.86715
   16    13 S   C    _CD1    16     1.51817   112.28576   175.23910
   17    16 S   O    _OE1    17     1.22737   123.24846     0.47724
   18    16 S   N    _N2_    18     1.38574   111.70442  -179.53396
   19    18 S   H    _HN2    19     1.01556   119.08111     3.67802
   20    18 S   CT1  _CA2    20     1.45989   122.88074   178.11487
   21    20 S   HC   _HA2    21     1.09647   110.00247    21.60806
   22    20 S   C    _C2_    22     1.52704   104.40066   -96.06966
   23    22 S   O    _O2_    23     1.23056   122.41593   -79.52411
   24    20 S   CT   _CB2    32     1.53313   111.75246   145.03653
   25    24 S   HC   HB21    33     1.09474   110.07977    51.53737
   26    24 S   HC   HB22    34     1.09320   109.24793   169.85222
   27    22 S   N    _N3_    24     1.38442   113.15017    95.82873
   28    27 S   H    _HN3    25     1.01694   120.20612     1.32707
   29    24 S   S    _SG2    35     1.83230   110.54140   -68.41658
   30    27 S   CT   _CA3    26     1.45341   122.35214  -177.99123
   31    30 S   HC   HA31    27     1.09571   107.46764   -62.15798
   32    30 S   HC   HA32    28     1.09575   107.87875    54.06462
   33    29 S   CT   _C17    36     1.88521   102.12412  -162.66664
   34    30 S   CO3  _C3_    29     1.52857   114.62039   175.93581
   35    34 S   O2Z  _O31    30     1.26296   116.19842    -4.09027
   36    34 S   O2Z  _O32    31     1.26478   114.35072   176.10338
   37    33 S   CM   _C15    37     1.54110   108.99065    59.20394
   38    33 S   CT   _C19    76     1.56775   103.52055   178.35372
   39    38 S   HC   _H14    77     1.09784   109.38215    63.15010
   40    38 S   HC   _H15    78     1.09655   111.22460   -54.18405
   41    37 S   N4   _N5_    38     1.36279   119.09908  -133.01208
   42    37 S   CMA  _C16    73     1.53401   121.07163    56.64370
   43    42 S   OM   _O35    74     1.26349   120.18093  -100.72474
   44    42 S   OM   _O36    75     1.26292   121.30346    81.03626
   45    38 S   S    _S2_    79     1.83053   115.18910  -176.02463
   46    41 S   C4   _C14    39     1.35271   136.66656  -163.61817
   47    46 S   O    _O34    40     1.20885   134.87685    -4.34352
   48    41 S   C4T  _C13    43     1.44920   126.47642    20.87899
   49    48 S   HC   _H4_    44     1.09768   111.94888    76.36331
   50    45 S   CRA  _C20    80     1.72316   102.05569  -171.23899
   51    46 S   C4T  _C12    41     1.56040    89.63265   171.26012
   52    51 S   HC   _H3_    42     1.09589   112.68993   125.49011
   53    48 S   S    _S1_    45     1.80552   111.07473   -51.74092
   54    50 S   N5B  _N6_    81     1.31389   128.01365     4.86236
   55    33 S   CT   _C18    46     1.56303   105.93146   -66.94359
   56    55 S   HC   _H12    47     1.09627   111.07645   -76.95829
   57    55 S   HC   _H13    48     1.09330   112.08456    41.49182
   58    51 S   N    _N4_    49     1.48203   112.76060  -106.60893
   59    58 S   H    _H11    50     1.01778   118.97992     8.56924
   60    54 S   N5B  _N7_    82     1.37497   105.78726   179.32247
   61    58 S   C    _C11    51     1.38697   122.75136  -172.73129
   62    61 S   O    _O33    52     1.22815   124.32271     1.24364
   63    60 S   N5A  _N8_    83     1.32696   111.14753     0.04846
   64    61 S   CT   _C10    53     1.51767   112.06368  -179.30790
   65    64 S   HC   _H9_    54     1.09558   109.99876    40.93384
   66    64 S   HC   _H10    55     1.09765   107.60871   -73.72694
   67    50 S   NA   _N9_    84     1.36643   123.33629  -176.30997
   68    64 S   CA   _C8_    56     1.51164   113.29371   164.49839
   69    67 S   CT   _C21    85     1.44398   130.55741     3.82029
   70    69 S   HC   _H16    86     1.09566   108.55671   169.61325
   71    69 S   HC   _H17    87     1.09540   107.41620    53.16924
   72    68 S   CA   _C9_    57     1.40713   118.07201    93.81551
   73    72 S   HA   _H8_    58     1.08801   120.21426     0.65132
   74    69 S   CO3  _C22    88     1.51550   112.25093   -69.89069
   75    74 S   O2Z  _O38    89     1.26345   116.85196   -39.58789
   76    74 S   O2Z  _O37    90     1.26591   114.92411   141.19650
   77    72 S   CA   _C4_    59     1.39400   121.07118  -179.23818
   78    77 S   HA   _H5_    60     1.08615   120.01960  -179.87967
   79    77 S   CA   _C5_    61     1.38942   119.86485     0.16313
   80    79 S   HA   _H6_    62     1.08618   120.08077  -179.85463
   81    79 S   CA   _C6_    63     1.39421   119.87280     0.24228
   82    81 S   HA   _H7_    64     1.08812   118.62525  -179.96044
   83    68 S   CA   _C7_    65     1.41157   122.82133   -84.36504
   84    83 S   CT   _C23    66     1.50522   122.94520    -2.55336
   85    84 S   HC   _H18    67     1.09260   112.34831    31.21086
   86    84 S   HC   _H19    68     1.09568   110.86810   150.90564
   87    84 S   NP   _N10    69     1.48107   112.71584   -89.83839
   88    87 S   H    _H20    70     1.02721   112.46504   -56.64718
   89    87 S   H    _H21    71     1.03168   111.74214  -177.64349
   90    87 S   H    _H22    72     1.03193   111.71213    64.65647
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   8   8   4   4   4   2   1   1   7   3   3   7   4   5   9
   4   3   6  12   5   4   3   8   4   2   1   1   6   3   5   3
   6   2   7   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    55    56    57    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    55    56    57    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    53    55    56    57    42    43    44    38    39    40    45  
   39    40    45    50    54    67    41    42    53    55    56    57  
   40    45    50    55  
   45    50    55  
   46    47    51    52    48    49    53    55    58    42    43    44  
   43    44    46    48    55  
   44  
    0  
   50    54    60    63    67    69    55  
   47    51    52    48    49    53    58    59    61  
   51    52    48    58  
   49    53    55    56    57    58    59    61    51    52  
   53    55    58    51    52  
   54    60    63    67    69    70    71    74  
   52    53    55    58    59    61    62    64  
   53    58    59    61  
   55    56    57    58  
   60    63    67    69  
   56    57  
   57  
    0  
   59    61    62    64    65    66    68  
   61    62    64  
   63    67    69  
   62    64    65    66    68    72    83  
   64    65    66    68  
   67    69    70    71    74  
   65    66    68    72    73    77    81    83    84  
   66    68    72    83  
   68    72    83  
   69    70    71    74    75    76  
   72    73    77    78    79    81    82    83    84    85    86    87  
   70    71    74    75    76  
   71    74    75    76  
   74    75    76  
   73    77    78    79    80    81    83    84  
   77    78    79    83  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84    85    86    87  
   83    84  
   84    85    86    87    88    89    90  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   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  -0.335000   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   0.167500   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.097500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660   0.305000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   88   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   89   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   90   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    55   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    52   340.000  1.090
   51    48   268.000  1.529
   51    58   337.000  1.449
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    61   490.000  1.335
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.510
   68    72   469.000  1.400
   68    83   469.000  1.400
   72    73   367.000  1.080
   72    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   367.000  1.471
   87    88   434.000  1.010
   87    89   434.000  1.010
   87    90   434.000  1.010
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    54   488.000  1.335
   50    67   477.000  1.343
   54    60   290.000  1.379
   60    63   420.000  1.291
   63    67   400.000  1.349
   67    69   320.000  1.443
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   317.000  1.522
   74    75   656.000  1.250
   74    76   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    55    53    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    51    52    40.00000  113.37500
   46    51    48   100.00000   86.36000
   46    51    58    75.00000  110.24000
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    53    65.00000  119.05700
   51    58    59    38.00000  118.40000
   51    58    61    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    51    52    37.50000  110.70000
   48    53    55    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    51    52    50.00000  112.01000
   58    51    48    80.00000  110.05700
   58    61    62    80.00000  122.90000
   58    61    64    70.00000  116.60000
   61    58    59    35.00000  119.80000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    68    70.00000  109.44300
   64    61    62    80.00000  120.40000
   64    68    72    70.00000  120.00000
   64    68    83    70.00000  120.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    72    73    35.00000  120.00000
   68    72    77    63.00000  120.00000
   68    83    81    63.00000  120.00000
   68    83    84    70.00000  120.00000
   72    77    78    35.00000  120.00000
   72    77    79    63.00000  120.00000
   77    72    73    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    70.00000  120.00000
   83    68    72    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    75.00000  110.83300
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    35.00000  109.50000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    55    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    54    70.00000  126.12900
   45    50    67    70.00000  123.45500
   50    54    60   100.00000  108.10500
   50    67    63    95.00000  110.06400
   50    67    69    60.00000  127.66100
   54    60    63   100.00000  111.97400
   60    63    67   110.00000  106.81600
   63    67    69    75.00000  118.68000
   67    50    54    70.00000  120.00000
   67    69    70    50.00000  108.61900
   67    69    71    50.00000  108.61900
   67    69    74    70.00000  110.94000
   69    74    75    70.00000  117.00000
   69    74    76    70.00000  117.00000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   76    74    75    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    55    53   0.56750  1.0 1.0
   29    33    55    53  -0.07550 -1.0 2.0
   29    33    55    53   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    55    53   0.56750  1.0 1.0
   37    33    55    53  -0.07550 -1.0 2.0
   37    33    55    53   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    51    52   0.00000  1.0 1.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    58   0.00000  1.0 1.0
   41    48    53    55   0.01700  1.0 1.0
   41    48    53    55  -0.23550 -1.0 2.0
   41    48    53    55   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    53   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    61  -0.42300  1.0 1.0
   46    51    58    61  -0.07000 -1.0 2.0
   46    51    58    61   0.04150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    58   0.30150 -1.0 2.0
   51    48    53    55   0.25150  1.0 1.0
   51    48    53    55  -1.17200 -1.0 2.0
   51    48    53    55   0.53050  1.0 3.0
   51    58    61    62   3.04450 -1.0 2.0
   51    58    61    64   1.49850  1.0 1.0
   51    58    61    64   1.53950 -1.0 2.0
   52    51   -48    41   0.15000  1.0 3.0
   52    51    48    49   0.15000  1.0 3.0
   52    51    48    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    61   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    58    59   0.00000  1.0 1.0
   48    51    58    61  -0.43950  1.0 1.0
   48    51    58    61  -0.08100 -1.0 2.0
   48    51    58    61   0.03350  1.0 3.0
   48    53   -55    33  -0.25000 -1.0 2.0
   48    53   -55    33  -0.01800  1.0 3.0
   48    53    55    56   0.32350  1.0 3.0
   48    53    55    57   0.32350  1.0 3.0
   49    48    53    55   0.00000  1.0 1.0
   55    33   -37    41  -0.93550  1.0 1.0
   55    33   -37    41   0.38900 -1.0 2.0
   55    33   -37    41   0.16950  1.0 3.0
   55    33    37    42   0.09850  1.0 1.0
   55    33    37    42   0.15250 -1.0 2.0
   55    33    37    42  -0.50650  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33    38    45   0.44750  1.0 1.0
   55    33    38    45  -0.17800 -1.0 2.0
   55    33    38    45   0.20200  1.0 3.0
   58    51   -48    41   2.20050  1.0 1.0
   58    51   -48    41   0.63450 -1.0 2.0
   58    51   -48    41  -0.91300  1.0 3.0
   58    51    48    49   0.15000  1.0 3.0
   58    51    48    53   0.00000  1.0 1.0
   58    61    64    65   0.00000  1.0 1.0
   58    61    64    66   0.00000  1.0 1.0
   58    61    64    68   0.00000  1.0 1.0
   59    58    61    62   2.45000 -1.0 2.0
   59    58    61    64   2.45000 -1.0 2.0
   61    64    68    72   0.04300 -1.0 2.0
   61    64    68    83   0.04300 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    68   0.30150 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68    72    77   3.62500 -1.0 2.0
   64    68    83    81   3.62500 -1.0 2.0
   64    68    83    84   3.62500 -1.0 2.0
   65    64    68    72   0.00000  1.0 1.0
   65    64    68    83   0.00000  1.0 1.0
   66    64    68    72   0.00000  1.0 1.0
   66    64    68    83   0.00000  1.0 1.0
   68    72    77    78   3.62500 -1.0 2.0
   68    72    77    79   3.62500 -1.0 2.0
   68    83    84    85   0.00000  1.0 1.0
   68    83    84    86   0.00000  1.0 1.0
   68    83    84    87  -0.46400 -1.0 2.0
   72    68    83    81   3.62500 -1.0 2.0
   72    68    83    84   3.62500 -1.0 2.0
   72    77    79    80   3.62500 -1.0 2.0
   72    77   -79    81   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   73    72    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    68   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    84    85   0.00000  1.0 1.0
   81    83    84    86   0.00000  1.0 1.0
   81    83    84    87  -0.46400 -1.0 2.0
   82    81    83    68   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    68    72    73   3.62500 -1.0 2.0
   83    68   -72    77   3.62500 -1.0 2.0
   83    84    87    88   0.17350  1.0 3.0
   83    84    87    89   0.17350  1.0 3.0
   83    84    87    90   0.17350  1.0 3.0
   85    84    87    88   0.13050  1.0 3.0
   85    84    87    89   0.13050  1.0 3.0
   85    84    87    90   0.13050  1.0 3.0
   86    84    87    88   0.13050  1.0 3.0
   86    84    87    89   0.13050  1.0 3.0
   86    84    87    90   0.13050  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    55    53   0.44750  1.0 1.0
   38    33    55    53  -0.17800 -1.0 2.0
   38    33    55    53   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    50    54   0.63150 -1.0 2.0
   38    45    50    67   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    54    60   3.62500 -1.0 2.0
   45    50    67    63   3.62500 -1.0 2.0
   45    50    67    69   3.62500 -1.0 2.0
   50    54   -60    63   3.62500 -1.0 2.0
   50    67    69    70   0.00000  1.0 1.0
   50    67    69    71   0.00000  1.0 1.0
   50    67    69    74   0.68100  1.0 1.0
   50    67    69    74   0.03350 -1.0 2.0
   50    67    69    74   0.36200  1.0 3.0
   54    50   -67    63   3.62500 -1.0 2.0
   54    50    67    69   3.62500 -1.0 2.0
   54    60   -63    67   3.62500 -1.0 2.0
   60    63   -67    50   3.62500 -1.0 2.0
   60    63    67    69   3.62500 -1.0 2.0
   63    67    69    70   0.00000  1.0 1.0
   63    67    69    71   0.00000  1.0 1.0
   63    67    69    74   0.68100  1.0 1.0
   63    67    69    74   0.03350 -1.0 2.0
   63    67    69    74   0.36200  1.0 3.0
   67    50   -54    60   3.62500 -1.0 2.0
   67    69    74    75   0.30150 -1.0 2.0
   67    69    74    76   0.30150 -1.0 2.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    76   0.00000  1.0 1.0
   71    69    74    75   0.00000  1.0 1.0
   71    69    74    76   0.00000  1.0 1.0
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
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   59    61    58    51   1.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   72    83    68    64   4.00000 -1.0 2.0
   77    73    72    68   1.10000 -1.0 2.0
   79    78    77    72   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    68   4.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   54    67    50    45   4.00000 -1.0 2.0
   63    69    67    50   4.00000 -1.0 2.0
   75    69    74    76  10.50000 -1.0 2.0
END
