* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    160    232     458
    1     0 S   NP   _N1_     1    28.17316    95.67722   -22.13672
    2     1 S   H    _HN1     2     1.02775    94.23062  -117.17547
    3     1 S   H    _H1_     3     1.02958    83.38849    -9.15719
    4     1 S   H    _H2_     4     1.02834    33.37405   126.19536
    5     1 S   CT   _CA1     5     1.50131   142.87970   106.15517
    6     5 S   HC   _HA1     6     1.09575   105.20480    70.71556
    7     5 S   CO3  _C1_     7     1.53851   112.45702   -49.40384
    8     7 S   O2Z  _O11     8     1.26362   114.98771   -41.36163
    9     7 S   O2Z  _O12     9     1.26255   114.96916   137.79922
   10     5 S   CT   _CB1    10     1.53136   107.41922  -171.37158
   11    10 S   HC   HB11    11     1.09816   109.40085   -50.46721
   12    10 S   HC   HB12    12     1.09814   110.39947    66.15696
   13    10 S   CT   _CG1    13     1.52931   112.56859  -171.57207
   14    13 S   HC   HG11    14     1.09580   110.31104   -63.58746
   15    13 S   HC   HG12    15     1.09653   110.00738    55.51792
   16    13 S   C    _CD1    16     1.51827   112.60416   175.98546
   17    16 S   O    _OE1    17     1.22705   123.48104    -4.05695
   18    16 S   N    _N2_    18     1.38498   111.41433   175.99699
   19    18 S   H    _HN2    19     1.01552   118.83142     4.43244
   20    18 S   CT1  _CA2    20     1.45874   123.32780   179.76261
   21    20 S   HC   _HA2    21     1.09678   109.26720    21.30742
   22    20 S   C    _C2_    22     1.52948   107.04663   -96.37362
   23    22 S   O    _O2_    23     1.23024   122.97620   -22.34350
   24    20 S   CT   _CB2    32     1.53331   111.76898   144.67881
   25    24 S   HC   HB21    33     1.09496   108.55256    59.00976
   26    24 S   HC   HB22    34     1.09466   110.49175   177.76533
   27    22 S   N    _N3_    24     1.38670   112.53577   161.46145
   28    27 S   H    _HN3    25     1.01507   119.79137    -1.82628
   29    24 S   S    _SG2    35     1.82535   111.40441   -61.10680
   30    27 S   CT   _CA3    26     1.45429   122.45227   174.91469
   31    30 S   HC   HA31    27     1.09564   108.49962    40.15495
   32    30 S   HC   HA32    28     1.09492   106.96709   157.10782
   33    29 S   CT   _C9_    36     1.86557   102.22536   177.90520
   34    30 S   CO3  _C3_    29     1.53169   114.92371   -81.69453
   35    34 S   O2Z  _O31    30     1.26409   116.70963     3.02492
   36    34 S   O2Z  _O32    31     1.26443   114.26564  -177.65431
   37    33 S   CM   _C10    37     1.56135   107.62937  -152.18418
   38    33 S   CT   _C20    86     1.54906   107.77329    83.32380
   39    38 S   HC   _H17    87     1.09816   111.58100   -74.33347
   40    38 S   HC   _H18    88     1.09703   110.53058   167.45278
   41    38 S   HC   _H19    89     1.09338   114.26400    45.44722
   42    37 S   CT   _C13    38     1.56779   117.43667   104.24798
   43    42 S   HC   _H3_    39     1.09732   105.10070   135.16132
   44    37 S   CMA  _C11    79     1.37893   123.85595   -77.58326
   45    44 S   OM   _O35    80     1.27002   125.26694  -176.81549
   46    42 S   CA   _C14    40     1.53978   113.10784  -105.46678
   47    42 S   CM   _C7_    51     1.51175   115.01994    22.26339
   48    44 S   OS   _O36    81     1.41372   112.58112     6.08831
   49    46 S   CA   _C15    41     1.40944   119.45516    65.02660
   50    49 S   HA   _H13    42     1.08493   120.50788     1.44888
   51    47 S   CM   _C8_    52     1.34109   122.68838   -14.10569
   52    47 S   CO4  _C6_    69     1.48024   116.42862   166.17167
   53    52 S   O    _O34    70     1.22072   123.82484   -67.99431
   54    48 S   CT   _C12    82     1.42750   115.44514  -151.50695
   55    54 S   HC   _H10    83     1.09407   107.70663   172.21628
   56    54 S   HC   _H11    84     1.09528   111.08638    54.15213
   57    54 S   HC   _H12    85     1.09479   111.04752   -69.91462
   58    49 S   CA   _C16    43     1.39631   121.73424  -179.91153
   59    58 S   HA   _H14    44     1.08622   120.03599   179.57022
   60    33 S   NE   _N4_    53     1.45806   110.44022   -29.88029
   61    60 S   H    _H9_    54     1.01611   116.26217    67.89014
   62    51 S   CT   _C21    55     1.51217   124.77764   179.76097
   63    62 S   HC   _H20    56     1.09409   113.47061    -9.59229
   64    62 S   HC   _H21    57     1.09794   108.91054  -128.98640
   65    52 S   OS   _O33    71     1.35874   108.68762   109.73651
   66    58 S   CA   _C17    45     1.38842   119.97119    -0.81613
   67    66 S   HA   _H15    46     1.08607   120.07937   179.96574
   68    62 S   OS   _O37    58     1.42918   108.05808   111.20343
   69    65 S   CT   _C5_    72     1.43376   115.34239  -177.37975
   70    69 S   HC   _H7_    73     1.09546   109.52401   -60.68465
   71    69 S   HC   _H8_    74     1.09555   109.55609    59.67154
   72    66 S   CA   _C18    47     1.39200   119.66837    -0.93482
   73    72 S   HA   _H16    48     1.08745   118.86947  -178.61605
   74    68 S   CT   _C22    59     1.42645   112.09853   162.80411
   75    74 S   HC   _H22    60     1.09581   109.46126    55.63475
   76    74 S   HC   _H23    61     1.09624   109.53828   -63.71841
   77    69 S   CT   _C4_    75     1.51543   108.07426   179.48795
   78    77 S   HC   _H4_    76     1.09511   110.58377   -59.14808
   79    77 S   HC   _H5_    77     1.09512   110.59173    59.04320
   80    77 S   HC   _H6_    78     1.09349   110.92827   179.95154
   81    46 S   CA   _C19    49     1.40982   123.24899  -117.60683
   82    81 S   Cl   Cl1_    50     1.73100   122.82170    -2.05938
   83    74 S   CT   _C23    62     1.51961   108.90369   175.23145
   84    83 S   HC   _H24    63     1.09376   111.73378   -55.78711
   85    83 S   HC   _H25    64     1.09310   111.79885  -179.90309
   86    83 S   NP   _N5_    65     1.48158   109.45009    61.52233
   87    86 S   H    _H26    66     1.02836   111.27391   -61.07678
   88    86 S   H    _H27    67     1.02814   112.14619   178.80794
   89    86 S   H    _H28    68     1.03435   112.41892    58.36169
  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
  16   2   1   1  18   8   3   2   1  18   7   9   2  12  13   4
   8   4  10   8   2   3   2   1   1   6   3   5   1   7   3   2
   7   5   3   7   6   5   4   3   2   9   5   4   3   2   1   1
   1   1   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    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    60    61    62    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    81    47    51    60    61    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    58    72    81    82    47    51    60    62    52    53    65    44    45    48  
   46    49    81    47    51    52    44  
   45    48    54    55    56    57    46    47    60  
   48    54  
   49    50    58    59    66    72    73    81    82    47    51    52  
   51    60    61    62    63    64    68    52    53    65    69    49    81  
   54    55    56    57  
   50    58    59    66    67    72    81    82  
   58    59    66    81  
   60    61    62    63    64    68    74    52    53    65  
   53    65    69    70    71    77    60    62  
   65    69  
   55    56    57  
   56    57  
   57  
    0  
   59    66    67    72    73    81  
   66    67    72  
   61    62    63    64    68  
   62  
   63    64    68    74    75    76    83  
   64    68    74  
   68    74  
   69    70    71    77    78    79    80  
   67    72    73    81    82  
   72    73    81  
   74    75    76    83    84    85    86  
   70    71    77    78    79    80  
   71    77    78    79    80  
   77    78    79    80  
   73    81    82  
   81    82  
   75    76    83    84    85    86    87    88    89  
   76    83    84    85    86  
   83    84    85    86  
   78    79    80  
   79    80  
   80  
    0  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   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   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   83   3.5000   0.0660  -0.034400   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   87   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   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
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    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    81   469.000  1.400
   49    50   367.000  1.080
   49    58   469.000  1.400
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    81   469.000  1.400
   81    82   300.000  1.725
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    60   425.000  1.378
   51    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   320.000  1.410
   68    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   367.000  1.471
   86    87   434.000  1.010
   86    88   434.000  1.010
   86    89   434.000  1.010
   52    53   570.000  1.229
   52    65   214.000  1.327
   65    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    81    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    58    63.00000  120.00000
   46    81    72    63.00000  120.00000
   46    81    82    75.00000  120.00000
   49    58    59    35.00000  120.00000
   49    58    66    63.00000  120.00000
   58    49    50    35.00000  120.00000
   58    66    67    35.00000  120.00000
   58    66    72    63.00000  120.00000
   66    58    59    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    81    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    81    82    75.00000  120.00000
   81    46    49    63.00000  120.00000
   81    72    73    35.00000  120.00000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    60    70.00000  124.03900
   47    51    62    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    65    90.00000  111.29400
   51    60    61    35.00000  114.50000
   51    62    63    35.00000  109.50000
   51    62    64    35.00000  109.50000
   51    62    68    85.00000  110.90400
   60    33    37    80.00000  112.42400
   62    51    60    75.00000  116.24600
   62    68    74    60.00000  109.50000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    83    50.00000  109.50000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    80.00000  111.20000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   88    86    87    35.00000  109.50000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   52    47    51    65.00000  118.96000
   52    65    69    83.00000  116.90000
   65    52    53    83.00000  123.40000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    77    50.00000  109.50000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.62250  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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  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    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  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    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    81   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    58   3.62500 -1.0 2.0
   42    46    81    72   3.62500 -1.0 2.0
   42    46    81    82   3.62500 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    51    62   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    65  -0.15000  1.0 1.0
   42    47    52    65   0.89550 -1.0 2.0
   42    47    52    65  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    81   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    58    59   3.62500 -1.0 2.0
   46    49    58    66   3.62500 -1.0 2.0
   49    46    81    72   3.62500 -1.0 2.0
   49    46    81    82   3.62500 -1.0 2.0
   49    58    66    67   3.62500 -1.0 2.0
   49    58   -66    72   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    49    58    66   3.62500 -1.0 2.0
   58    66    72    73   3.62500 -1.0 2.0
   58    66    72    81   3.62500 -1.0 2.0
   59    58    66    67   3.62500 -1.0 2.0
   59    58    66    72   3.62500 -1.0 2.0
   66    72   -81    46   3.62500 -1.0 2.0
   66    72    81    82   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    81   3.62500 -1.0 2.0
   73    72    81    46   3.62500 -1.0 2.0
   73    72    81    82   3.62500 -1.0 2.0
   81    46    49    50   3.62500 -1.0 2.0
   81    46   -49    58   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    81   0.18050 -1.0 2.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   47    51    62    63   0.00000  1.0 1.0
   47    51    62    64   0.00000  1.0 1.0
   47    51    62    68   0.39000  1.0 1.0
   47    51    62    68  -0.05800 -1.0 2.0
   47    51    62    68  -0.55150  1.0 3.0
   47    52    65    69   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    65  -0.56150  1.0 1.0
   51    47    52    65   2.19150 -1.0 2.0
   51    62    68    74  -0.77900  1.0 1.0
   51    62    68    74  -0.36900 -1.0 2.0
   51    62    68    74   0.40400  1.0 3.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    62    63  -0.18050  1.0 3.0
   60    51    62    64  -0.18050  1.0 3.0
   60    51    62    68   0.09700  1.0 1.0
   60    51    62    68   0.15600 -1.0 2.0
   60    51    62    68  -0.50800  1.0 3.0
   62    51    60    33   1.00000 -1.0 2.0
   62    51    60    61   2.40850 -1.0 2.0
   62    68    74    75   0.37050  1.0 3.0
   62    68    74    76   0.37050  1.0 3.0
   62    68    74    83   0.06250  1.0 1.0
   62    68    74    83  -0.01100 -1.0 2.0
   62    68    74    83   0.28050  1.0 3.0
   63    62    68    74   0.37050  1.0 3.0
   64    62    68    74   0.37050  1.0 3.0
   68    74    83    84   0.23400  1.0 3.0
   68    74    83    85   0.23400  1.0 3.0
   68    74    83    86   1.69300  1.0 1.0
   68    74    83    86  -0.48450 -1.0 2.0
   74    83    86    87   0.17350  1.0 3.0
   74    83    86    88   0.17350  1.0 3.0
   74    83    86    89   0.17350  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.19200  1.0 3.0
   76    74    83    84   0.15000  1.0 3.0
   76    74    83    85   0.15000  1.0 3.0
   76    74    83    86   0.19200  1.0 3.0
   84    83    86    87   0.13050  1.0 3.0
   84    83    86    88   0.13050  1.0 3.0
   84    83    86    89   0.13050  1.0 3.0
   85    83    86    87   0.13050  1.0 3.0
   85    83    86    88   0.13050  1.0 3.0
   85    83    86    89   0.13050  1.0 3.0
   52    47    51    60   7.00000 -1.0 2.0
   52    47    51    62   7.00000 -1.0 2.0
   52    65    69    70   0.08050  1.0 3.0
   52    65    69    71   0.08050  1.0 3.0
   52    65    69    77  -0.25900  1.0 1.0
   52    65    69    77  -0.47000 -1.0 2.0
   52    65    69    77   0.11750  1.0 3.0
   53    52    65    69   3.00000 -1.0 2.0
   65    69    77    78   0.23400  1.0 3.0
   65    69    77    79   0.23400  1.0 3.0
   65    69    77    80   0.23400  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    80   0.15000  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    57   0.08050  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   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    42    37    44   1.10000 -1.0 2.0
   49    81    46    42   4.00000 -1.0 2.0
   58    50    49    46   1.10000 -1.0 2.0
   66    59    58    49   1.10000 -1.0 2.0
   72    67    66    58   1.10000 -1.0 2.0
   81    73    72    66   1.10000 -1.0 2.0
   72    82    81    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   62    60    51    47   1.10000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   47    65    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
