* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    233     457
    1     0 S   NP   _N1_     1    28.85310    95.73500   -24.70152
    2     1 S   H    _HN1     2     1.02788   112.45104  -103.59040
    3     1 S   H    _H1_     3     1.02950    77.69434     1.40820
    4     1 S   H    _H2_     4     1.02829    30.04181   169.31782
    5     1 S   CT   _CA1     5     1.50111   128.65007   107.82671
    6     5 S   HC   _HA1     6     1.09574   105.19463    87.30305
    7     5 S   CO3  _C1_     7     1.53792   112.45542   -32.93176
    8     7 S   O2Z  _O11     8     1.26372   115.01214   -42.90146
    9     7 S   O2Z  _O12     9     1.26242   114.94415   136.22915
   10     5 S   CT   _CB1    10     1.53081   107.42101  -154.72053
   11    10 S   HC   HB11    11     1.09833   109.37602   -49.72461
   12    10 S   HC   HB12    12     1.09813   110.45168    66.88776
   13    10 S   CT   _CG1    13     1.52989   112.59639  -170.69540
   14    13 S   HC   HG11    14     1.09584   110.63264   -65.60120
   15    13 S   HC   HG12    15     1.09671   109.77944    53.62020
   16    13 S   C    _CD1    16     1.51807   112.22834   174.08325
   17    16 S   O    _OE1    17     1.22734   123.27632     7.03138
   18    16 S   N    _N2_    18     1.38628   111.64039  -173.01037
   19    18 S   H    _HN2    19     1.01583   118.99983     1.64758
   20    18 S   CT1  _CA2    20     1.46259   123.50489   177.79469
   21    20 S   HC   _HA2    21     1.09734   109.27582     4.91733
   22    20 S   C    _C2_    22     1.53638   109.11538  -110.63176
   23    22 S   O    _O2_    23     1.23075   122.20660  -152.12706
   24    20 S   CT   _CB2    32     1.53347   111.28788   126.83770
   25    24 S   HC   HB21    33     1.09487   109.57561    55.43507
   26    24 S   HC   HB22    34     1.09496   110.43900   174.62116
   27    22 S   N    _N3_    24     1.38309   113.91666    35.45025
   28    27 S   H    _HN3    25     1.01555   119.55954    -3.55562
   29    24 S   S    _SG2    35     1.82854   111.28332   -65.59554
   30    27 S   CT   _CA3    26     1.45270   123.23315   177.16793
   31    30 S   HC   HA31    27     1.09548   107.53804   -64.31355
   32    30 S   HC   HA32    28     1.09557   107.96828    52.13355
   33    29 S   CT   _C23    36     1.83750    99.73126   179.13611
   34    33 S   HC   _H3_    37     1.09516   106.04530    50.64250
   35    30 S   CO3  _C3_    29     1.52953   114.06174   174.12667
   36    35 S   O2Z  _O31    30     1.26379   116.07728     0.07402
   37    35 S   O2Z  _O32    31     1.26427   114.41292  -179.87489
   38    33 S   CM   _C11    38     1.53494   111.50315   -70.98046
   39    33 S   CT   _C22    83     1.53078   108.81682   164.34066
   40    39 S   HC   _H48    84     1.09572   112.66632    57.96313
   41    39 S   HC   _H49    85     1.09633   110.88176   -62.75744
   42    39 S   HC   _H50    86     1.09609   110.54195   178.53901
   43    38 S   CMA  _C12    39     1.36814   122.09223   114.81203
   44    43 S   OM   _O21    40     1.26884   125.48185    -1.77111
   45    38 S   CT   _C21    79     1.52003   115.41180   -66.84652
   46    45 S   HC   _H45    80     1.09454   110.20475   -67.21501
   47    45 S   HC   _H46    81     1.09358   113.86429   172.74580
   48    45 S   HC   _H47    82     1.09391   111.14195    53.10807
   49    43 S   OS   _O25    41     1.41595   111.78210  -179.77883
   50    49 S   CT   _C18    42     1.44624   116.40747  -136.44530
   51    50 S   HC   _H38    43     1.09727   111.26774   -36.02157
   52    50 S   CT   _C14    44     1.55515   106.01416    84.32291
   53    52 S   HC   _H33    45     1.09947   108.51953    54.77135
   54    52 S   HC   _H34    46     1.09797   109.81425   -58.07502
   55    50 S   CT   _C17    60     1.56277   107.45722  -154.67424
   56    55 S   HC   _H37    61     1.09806   108.48845   -74.13661
   57    52 S   CM   _C6_    47     1.50952   114.96095   178.88197
   58    55 S   CM   _C8_    62     1.49700   113.56650    47.86480
   59    57 S   CM   _C4_    48     1.34657   119.09544   -95.21735
   60    59 S   HC   _H27    49     1.08997   118.06193    -4.12972
   61    58 S   CO4  _C9_    63     1.47104   110.18560   103.13256
   62    61 S   O    _O22    64     1.21759   127.11439  -170.54639
   63    58 S   CM   _C10    66     1.33664   128.31355   -81.21083
   64    63 S   HC   _H29    67     1.08506   120.73238     2.47955
   65    63 S   HC   _H30    68     1.08493   121.84660  -177.85589
   66    57 S   CT   _C19    75     1.50250   115.41374    80.93595
   67    66 S   HC   _H39    76     1.09442   110.60677   -60.00406
   68    66 S   HC   _H40    77     1.09224   113.22161   179.09388
   69    66 S   HC   _H41    78     1.09519   109.92278    59.46822
   70    59 S   CT   _C13    50     1.50211   127.44664   167.49103
   71    70 S   HC   _H31    51     1.09535   110.50768    39.87829
   72    70 S   HC   _H32    52     1.09749   107.53337   155.34655
   73    85 S   OS   _O23    65     1.44522   108.24705   124.39220
   74    70 S   CT   _C16    53     1.54652   112.94845   -84.17128
   75    74 S   HC   _H36    54     1.09766   107.26147  -169.13720
   76    74 S   CM   _C7_    55     1.52420   115.25211   -48.83938
   77    74 S   OH   _O24    73     1.42664   110.75825    77.50088
   78    77 S   HO   _H52    74     0.97200   107.65466    55.69808
   79    76 S   CM   _C5_    56     1.35209   127.14215    84.92570
   80    79 S   HC   _H28    57     1.09030   117.40297   179.16749
   81    76 S   CT   _C20    69     1.50977   113.69796   -95.03385
   82    81 S   HC   _H42    70     1.09499   110.26051   -61.78643
   83    81 S   HC   _H43    71     1.09512   112.59132   178.07441
   84    81 S   HC   _H44    72     1.09504   110.17869    58.09002
   85    79 S   CT   _C15    58     1.51223   128.84852    -3.10967
   86    85 S   HC   _H35    59     1.08709   111.72973     9.37631
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  16   8  14   5   4  14   7  10   9  12   5   8   3   4   1
   1   4   2   1   1   9   5   4   5  11   5  10   3   1   7   3
   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    85    55    56    58  
   51    52    53    54    57    59    79    85    86    55    56    58    61    73    63    66  
   52    53    54    57    85    55    56    58  
   53    54    57    59    60    70    85    55    56    58    66    67    68    69  
   54    57    59    55    66  
   57    59    55    66  
   56    58    61    62    73    63    64    65    57    76    79    80    85    86  
   58    61    73    63    79    85    86  
   59    60    70    71    72    74    66    67    68    69  
   61    62    73    63    64    65    79    85    86  
   60    70    71    72    74    75    76    77    66    67    68    69  
   70    71    72    74    66  
   62    73    63    64    65    79    85    86  
   73    63    85  
   64    65    73    85  
   65  
    0  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    74    75    76    79    81    77    78  
   72    74    75    76    77  
   74    75    76    77  
   76    79    80    85    86  
   75    76    79    80    85    81    82    83    84    77    78  
   76    79    81    77    78  
   79    80    85    86    81    82    83    84    77    78  
   78    79    81  
    0  
   80    85    86    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    59   549.000  1.340
   57    66   317.000  1.510
   59    60   340.000  1.080
   59    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.510
   74    77   320.000  1.410
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    55   268.000  1.529
   85    73   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    73   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    55    85    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    70.00000  124.00000
   52    57    66    65.00000  117.92700
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    70    70.00000  124.00000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   59    70    74    70.00000  112.02700
   70    59    60    35.00000  117.00000
   70    74    75    37.50000  110.70000
   70    74    76    70.00000  112.02700
   70    74    77    50.00000  109.50000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    76    79    70.00000  124.00000
   74    76    81    65.00000  117.92700
   74    77    78    55.00000  108.50000
   76    74    75    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    85    70.00000  124.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    55    70.00000  112.02700
   79    85    73    85.00000  110.90400
   85    79    80    35.00000  117.00000
   85    55    56    37.50000  110.70000
   85    55    58    70.00000  112.02700
   85    73    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    85    86    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    73    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   73    85    86    35.00000  109.50000
   73    85    55    50.00000  109.50000
   73    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    90.00000  110.39200
   66    57    59    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    55    85   0.62750  1.0 1.0
   49    50    55    85  -0.30950 -1.0 2.0
   49    50    55    85   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59   0.09850  1.0 1.0
   50    52    57    59   0.15250 -1.0 2.0
   50    52    57    59  -0.50650  1.0 3.0
   50    52    57    66   0.46850  1.0 1.0
   50    52    57    66   0.08550 -1.0 2.0
   50    52    57    66   0.09800  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    85   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    85   0.56750  1.0 1.0
   52    50    55    85  -0.07550 -1.0 2.0
   52    50    55    85   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    70   7.00000 -1.0 2.0
   52    57    66    67   0.34800  1.0 3.0
   52    57    66    68   0.34800  1.0 3.0
   52    57    66    69   0.34800  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    66   0.34800  1.0 3.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    66   0.34800  1.0 3.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   57    59    70    74   0.09850  1.0 1.0
   57    59    70    74   0.15250 -1.0 2.0
   57    59    70    74  -0.50650  1.0 3.0
   59    57    66    67   0.00000  1.0 1.0
   59    57    66    68   0.00000  1.0 1.0
   59    57    66    69   0.00000  1.0 1.0
   59    70    74    75   0.15000  1.0 3.0
   59    70    74    76   0.31000  1.0 1.0
   59    70    74    76   0.14700 -1.0 2.0
   59    70    74    76   0.07550  1.0 3.0
   59    70    74    77   1.05650  1.0 1.0
   59    70    74    77   0.15600 -1.0 2.0
   59    70    74    77   0.53150  1.0 3.0
   60    59    70    71   0.33100  1.0 3.0
   60    59    70    72   0.33100  1.0 3.0
   60    59    70    74   0.00000  1.0 1.0
   70    74    76    79   0.09850  1.0 1.0
   70    74    76    79   0.15250 -1.0 2.0
   70    74    76    79  -0.50650  1.0 3.0
   70    74    76    81   0.46850  1.0 1.0
   70    74    76    81   0.08550 -1.0 2.0
   70    74    76    81   0.09800  1.0 3.0
   70    74    77    78  -0.11600  1.0 1.0
   70    74    77    78  -0.09450 -1.0 2.0
   70    74    77    78   0.21250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.23400  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.23400  1.0 3.0
   74    76    79    80   7.00000 -1.0 2.0
   74    76    79    85   7.00000 -1.0 2.0
   74    76    81    82   0.34800  1.0 3.0
   74    76    81    83   0.34800  1.0 3.0
   74    76    81    84   0.34800  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   75    74    76    81   0.34800  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78  -0.07800  1.0 1.0
   76    74    77    78  -0.21500 -1.0 2.0
   76    74    77    78  -0.03150  1.0 3.0
   76    79    85    86   0.00000  1.0 1.0
   76    79    85    55   0.09850  1.0 1.0
   76    79    85    55   0.15250 -1.0 2.0
   76    79    85    55  -0.50650  1.0 3.0
   76    79    85    73   0.39000  1.0 1.0
   76    79    85    73  -0.05800 -1.0 2.0
   76    79    85    73  -0.55150  1.0 3.0
   79    76    81    82   0.00000  1.0 1.0
   79    76    81    83   0.00000  1.0 1.0
   79    76    81    84   0.00000  1.0 1.0
   79    85    55    50   0.34400  1.0 1.0
   79    85    55    50   0.09450 -1.0 2.0
   79    85    55    50   0.11100  1.0 3.0
   79    85    55    56   0.15000  1.0 3.0
   79    85    55    58   0.31000  1.0 1.0
   79    85    55    58   0.14700 -1.0 2.0
   79    85    55    58   0.07550  1.0 3.0
   79    85    73    61  -0.82050  1.0 1.0
   79    85    73    61   0.00600 -1.0 2.0
   79    85    73    61   0.04400  1.0 3.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    55   0.00000  1.0 1.0
   80    79    85    73   0.00000  1.0 1.0
   85    55   -58    61   0.09700  1.0 1.0
   85    55   -58    61   0.15600 -1.0 2.0
   85    55   -58    61  -0.50800  1.0 3.0
   85    55    58    63   0.09850  1.0 1.0
   85    55    58    63   0.15250 -1.0 2.0
   85    55    58    63  -0.50650  1.0 3.0
   86    85    55    50   0.15000  1.0 3.0
   86    85    55    56   0.15000  1.0 3.0
   86    85    55    58   0.15000  1.0 3.0
   86    85    73    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.34400  1.0 1.0
   55    50    52    57   0.09450 -1.0 2.0
   55    50    52    57   0.11100  1.0 3.0
   55    85   -73    61  -0.25900  1.0 1.0
   55    85   -73    61  -0.47000 -1.0 2.0
   55    85   -73    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    73  -0.15000  1.0 1.0
   55    58   -61    73   0.89550 -1.0 2.0
   55    58   -61    73  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -73    85   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    73    85   3.00000 -1.0 2.0
   73    85    55    50   0.62750  1.0 1.0
   73    85    55    50  -0.30950 -1.0 2.0
   73    85    55    50   0.27300  1.0 3.0
   73    85    55    56   0.23400  1.0 3.0
   73    85   -55    58   0.61850  1.0 1.0
   73    85   -55    58  -0.22750 -1.0 2.0
   73    85   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    73  -0.56150  1.0 1.0
   63    58    61    73   2.19150 -1.0 2.0
   81    76    79    80   7.00000 -1.0 2.0
   81    76    79    85   7.00000 -1.0 2.0
   77    74    76    79   0.67800  1.0 1.0
   77    74    76    79   0.47050 -1.0 2.0
   77    74    76    79  -0.62500  1.0 3.0
   77    74    76    81   0.18000  1.0 1.0
   77    74    76    81   0.16450 -1.0 2.0
   77    74    76    81   0.04450  1.0 3.0
   66    57    59    60   7.00000 -1.0 2.0
   66    57    59    70   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    66    57    59   1.10000 -1.0 2.0
   70    60    59    57   1.10000 -1.0 2.0
   74    81    76    79   1.10000 -1.0 2.0
   85    80    79    76   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    73    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
