* LIGAND DATABASE FILE (OPLS2005)
*
001     111   113    211    320     622
    1     0 S   NP   _N1_     1    29.58847    95.55862   -24.84101
    2     1 S   H    _HN1     2     1.02784   113.15369   -74.88010
    3     1 S   H    _H1_     3     1.02951    62.78040    24.64268
    4     1 S   H    _H2_     4     1.02828    45.14345  -167.51159
    5     1 S   CT   _CA1     5     1.50117   133.68802   117.53729
    6     5 S   HC   _HA1     6     1.09574   105.18938   106.23275
    7     5 S   CO3  _C1_     7     1.53789   112.47355   -13.98473
    8     7 S   O2Z  _O11     8     1.26371   115.00538   -42.17928
    9     7 S   O2Z  _O12     9     1.26242   114.94777   136.94596
   10     5 S   CT   _CB1    10     1.53085   107.42003  -135.79458
   11    10 S   HC   HB11    11     1.09832   109.35878   -49.76216
   12    10 S   HC   HB12    12     1.09813   110.45150    66.84440
   13    10 S   CT   _CG1    13     1.52989   112.60905  -170.75099
   14    13 S   HC   HG11    14     1.09583   110.61257   -65.86296
   15    13 S   HC   HG12    15     1.09672   109.79462    53.36369
   16    13 S   C    _CD1    16     1.51804   112.25264   173.79455
   17    16 S   O    _OE1    17     1.22733   123.29909     6.44004
   18    16 S   N    _N2_    18     1.38663   111.65057  -173.61340
   19    18 S   H    _HN2    19     1.01580   118.94018     1.63853
   20    18 S   CT1  _CA2    20     1.46189   123.38089   177.49212
   21    20 S   HC   _HA2    21     1.09743   109.35481     2.18176
   22    20 S   C    _C2_    22     1.53548   108.59655  -113.27444
   23    22 S   O    _O2_    23     1.23056   122.28559  -147.88160
   24    20 S   CT   _CB2    32     1.53370   111.63604   124.18933
   25    24 S   HC   HB21    33     1.09577   110.10946    56.40551
   26    24 S   HC   HB22    34     1.09417   109.84275   175.52202
   27    22 S   N    _N3_    24     1.38331   113.69434    39.57555
   28    27 S   H    _HN3    25     1.01587   119.58250    -3.38426
   29    24 S   S    _SG2    35     1.82726   111.40137   -64.57192
   30    27 S   CT   _CA3    26     1.45286   123.20973   177.09741
   31    30 S   HC   HA31    27     1.09550   107.51477   -64.40656
   32    30 S   HC   HA32    28     1.09557   107.98019    52.03062
   33    29 S   CT   _C26    36     1.84140   100.12777   172.11054
   34    33 S   HC   _H9_    37     1.09700   107.02925   -46.12145
   35    30 S   CO3  _C3_    29     1.52960   114.08185   174.01906
   36    35 S   O2Z  _O31    30     1.26375   116.06837    -0.82780
   37    35 S   O2Z  _O32    31     1.26429   114.41238   179.23255
   38    33 S   CT   _C27    38     1.53043   110.09885    70.45702
   39    38 S   HC   _H33    39     1.09431   112.55609    53.64394
   40    38 S   HC   _H34    40     1.09481   111.33732   -67.38883
   41    38 S   HC   _H35    41     1.09564   110.55494   174.33455
   42    33 S   CT   _C24    42     1.55027   112.35478  -163.53392
   43    42 S   HC   _H8_    43     1.09919   108.67696  -173.72368
   44    42 S   CO4  _C23    44     1.52440   113.76307   -55.01649
   45    44 S   O    _O40    45     1.22410   124.83449   102.97504
   46    42 S   CT   _C25   108     1.53418   112.04485    70.05115
   47    46 S   HC   _H30   109     1.09485   112.26007   -64.67576
   48    46 S   HC   _H31   110     1.09596   110.48125   175.79574
   49    46 S   HC   _H32   111     1.09500   110.82239    56.42978
   50    44 S   OS   _O39    46     1.36426   109.75915   -76.85827
   51    50 S   CT   _C14    47     1.43449   116.50043   176.18356
   52    51 S   HC   _H6_    48     1.09697   110.66795    50.56959
   53    51 S   CM   _C15    49     1.50166   110.15824   172.18731
   54    53 S   CM   _C16    50     1.34798   112.22143   131.95366
   55    53 S   CT   _C22   104     1.49381   118.97567   -49.66832
   56    55 S   HC   _H27   105     1.09427   110.22837   -68.99002
   57    55 S   HC   _H28   106     1.09252   112.86516   169.50615
   58    55 S   HC   _H29   107     1.09489   110.58948    50.71633
   59    54 S   CT   _C12    51     1.51370   111.15070    -2.66271
   60    59 S   HC   _H5_    52     1.09714   107.50725   102.35019
   61    54 S   CT   _C17    63     1.50508   126.87532   175.14393
   62    61 S   HC   _H7_    64     1.09797   107.37528    77.90108
   63    51 S   CT   _C13    53     1.52594   110.35379   -74.83350
   64    63 S   HC   _H20    54     1.09673   110.30933   102.40846
   65    63 S   HC   _H21    55     1.09546   110.70494   -14.58777
   66    59 S   CT   _C11    56     1.55743   117.41169  -134.43369
   67    61 S   OS   _O36    65     1.44382   110.42167   -37.62150
   68    66 S   CT   _C10    57     1.55118   113.43488   -76.96995
   69    68 S   HC   _H18    58     1.09613   109.14107   -60.04198
   70    68 S   HC   _H19    59     1.09922   107.29111  -172.41558
   71    67 S   CO4  _C20    66     1.36688   109.89712  -156.25434
   72    71 S   O    _O35    67     1.22136   124.35466  -173.04452
   73    66 S   CT   _C28    93     1.54226   112.23498    49.49367
   74    73 S   HC   _H36    94     1.09530   111.50549    63.96891
   75    73 S   HC   _H37    95     1.09148   113.57917   -57.84895
   76    73 S   HC   _H38    96     1.09630   110.23502  -179.40291
   77    66 S   OS   _O41    97     1.47465   110.01189   162.71716
   78    68 S   CT   _C9_    60     1.53895   119.39984    63.98472
   79    78 S   HC   _H4_    61     1.09885   105.97323  -175.42290
   80    83 S   CT   _C19    68     1.54725   114.79714  -170.42209
   81    77 S   CO4  _C29    98     1.36058   122.94389    58.79282
   82    81 S   O    _O42    99     1.22222   127.01709    -0.07133
   83    78 S   CT   _C18    62     1.54496   114.85174   -58.22920
   84    80 S   CT   _C21    69     1.52394   115.41574    80.55824
   85    84 S   HC   _H22    70     1.09496   110.83564   -60.63878
   86    84 S   HC   _H23    71     1.09647   110.84423  -178.59681
   87    84 S   HC   _H24    72     1.09466   112.40201    61.42057
   88    80 S   OH   _O37    73     1.42180   112.40721   -46.07544
   89    88 S   HO   _H25    74     0.97329   108.31313  -177.39548
   90    78 S   OS   _O34    77     1.44176   110.18069    67.34206
   91    81 S   CT   _C30   100     1.49888   109.18905  -179.57296
   92    91 S   HC   _H39   101     1.09294   109.85490   -60.02002
   93    91 S   HC   _H40   102     1.09379   109.37376  -179.01543
   94    91 S   HC   _H41   103     1.09301   109.79221    61.89498
   95    83 S   OH   _O38    75     1.43592   109.63380   -48.72501
   96    95 S   HO   _H26    76     0.97267   108.53152   -47.25736
   97    90 S   CO4  _C8_    78     1.36414   117.89849    85.45065
   98    97 S   O    _O33    79     1.22397   125.95372    -3.28187
   99    97 S   CT   _C6_    80     1.51849   109.69077   177.03456
  100    99 S   HC   _H3_    81     1.09752   109.05264   -11.73230
  101    99 S   CT   _C7_    82     1.52580   108.65118   106.43240
  102   101 S   HC   _H15    83     1.09573   111.40140    61.36102
  103   101 S   HC   _H16    84     1.09491   110.88846  -178.13366
  104   101 S   HC   _H17    85     1.09476   110.87583   -58.29133
  105    99 S   CT   _C5_    86     1.53519   110.94612  -131.31810
  106   105 S   HC   _H13    87     1.09689   109.34463  -173.49274
  107   105 S   HC   _H14    88     1.09690   110.54452   -56.11510
  108   105 S   CT   _C4_    89     1.52314   112.68325    66.00467
  109   108 S   HC   _H10    90     1.09424   111.43755   -63.75363
  110   108 S   HC   _H11    91     1.09470   110.08030   176.76033
  111   108 S   HC   _H12    92     1.09463   111.01334    57.22475
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  14   7  15  21   6   2   1   1  19   8  16   6   6   2
   1  15   8  15   7   6  11   4   6   3   2   1   7  11   5  10
   5   4  10   6   3   2   1   2   1   7   3   2   1   1   1   1
  11   4  12   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    63    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    59    63    64    65    55  
   52    53    54    59    60    63    64    65    66    61    55    56    57    58  
   53    54    59    63    64    65    55  
   54    59    60    63    64    65    66    83    61    62    67    55    56    57    58  
   59    60    63    64    65    66    68    78    83    61    62    67    71    80    95    73    77    55    56    57    58  
   56    57    58    59    61    63  
   57    58  
   58  
    0  
   60    63    64    65    66    68    69    70    78    83    61    62    67    73    74    75    76    77    81  
   63    64    65    66    68    61    73    77  
   62    67    71    72    80    84    88    95    96    90    63    66    68    78    79    83  
   67    71    80    95    78    83  
   64    65    66    68    73    77  
   65    66  
   66  
   68    69    70    78    79    83    90    73    74    75    76    77    81    82    91  
   71    72    80    84    88    95    78    83  
   69    70    78    79    83    80    95    90    97    73    74    75    76    77    81  
   70    78    79    83    90    73    77  
   78    79    83    90    73    77  
   72    80    84    85    86    87    88    89    95    78    83  
   80    84    88    83  
   74    75    76    77    81    78  
   75    76    77  
   76    77  
   77  
   81    82    91    92    93    94    78  
   79    83    80    84    88    95    96    90    97    98    99  
   83    80    95    90    97  
   84    85    86    87    88    89    95    96    90    83  
   82    91    92    93    94  
   91    92    93    94  
   84    85    86    87    88    89    95    96    90    97  
   85    86    87    88    89    95  
   86    87    88  
   87    88  
   88  
   89    95  
    0  
   97    98    99   100   101   105    95  
   92    93    94  
   93    94  
   94  
    0  
   96  
    0  
   98    99   100   101   102   103   104   105   106   107   108  
   99   100   101   105  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   105   106   107   108  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108   109   110   111  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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   3.5000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    63   268.000  1.529
   53    54   549.000  1.340
   53    55   317.000  1.510
   54    59   317.000  1.510
   54    61   317.000  1.510
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   66    68   268.000  1.529
   66    73   268.000  1.529
   66    77   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   268.000  1.529
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    90   320.000  1.410
   83    61   268.000  1.529
   83    80   268.000  1.529
   83    95   320.000  1.410
   61    62   340.000  1.090
   61    67   320.000  1.410
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    80   317.000  1.522
   80    84   268.000  1.529
   80    88   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   553.000  0.945
   95    96   553.000  0.945
   90    97   214.000  1.327
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   268.000  1.529
   99   105   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    81   214.000  1.327
   81    82   570.000  1.229
   81    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  110.90400
   50    51    63    50.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    55    65.00000  117.92700
   51    63    59    58.35000  112.70000
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    54    59    70.00000  124.00000
   53    54    61    70.00000  124.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    63    70.00000  112.02700
   54    59    66    70.00000  112.02700
   54    61    83    70.00000  112.02700
   54    61    62    35.00000  109.50000
   54    61    67    85.00000  110.90400
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    66    68    58.35000  112.70000
   59    66    73    58.35000  112.70000
   59    66    77    50.00000  109.50000
   63    51    52    37.50000  110.70000
   63    51    53    70.00000  112.02700
   63    59    60    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    78    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   66    77    81    83.00000  116.90000
   68    78    79    37.50000  110.70000
   68    78    83    58.35000  112.70000
   68    78    90    50.00000  109.50000
   70    68    69    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    70    37.50000  110.70000
   78    83    61    58.35000  112.70000
   78    83    80    58.35000  112.70000
   78    83    95    50.00000  109.50000
   78    90    97    83.00000  116.90000
   83    78    79    37.50000  110.70000
   83    61    62    37.50000  110.70000
   83    61    67    50.00000  109.50000
   83    80    71    63.00000  111.10000
   83    80    84    58.35000  112.70000
   83    80    88    50.00000  109.50000
   83    95    96    55.00000  108.50000
   61    54    59    65.00000  117.92700
   61    67    71    83.00000  116.90000
   67    61    62    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    80    81.00000  111.40000
   71    80    84    63.00000  111.10000
   71    80    88    90.00000  109.61100
   80    83    61    58.35000  112.70000
   80    71    72    80.00000  120.40000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    87    37.50000  110.70000
   80    88    89    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    80    84    50.00000  109.50000
   95    83    61    50.00000  109.50000
   95    83    80    50.00000  109.50000
   90    78    79    35.00000  109.50000
   90    78    83    50.00000  109.50000
   90    97    98    83.00000  123.40000
   90    97    99    81.00000  111.40000
   97    99   100    35.00000  109.50000
   97    99   101    63.00000  111.10000
   97    99   105    63.00000  111.10000
   99    97    98    80.00000  120.40000
   99   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101   104    37.50000  110.70000
   99   105   106    37.50000  110.70000
   99   105   107    37.50000  110.70000
   99   105   108    58.35000  112.70000
  101    99   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    99   100    37.50000  110.70000
  105    99   101    58.35000  112.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  105   108   111    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   73    66    68    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    66    68    50.00000  109.50000
   77    66    73    50.00000  109.50000
   77    81    82    83.00000  123.40000
   77    81    91    81.00000  111.40000
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91    94    35.00000  109.50000
   91    81    82    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   55    53    54    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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
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   90    97    99   101   0.36750  1.0 3.0
   90    97    99   105   0.36750  1.0 3.0
   97    99   101   102  -0.11250  1.0 3.0
   97    99   101   103  -0.11250  1.0 3.0
   97    99   101   104  -0.11250  1.0 3.0
   97    99   105   106  -0.11250  1.0 3.0
   97    99   105   107  -0.11250  1.0 3.0
   97    99   105   108  -0.95700  1.0 1.0
   97    99   105   108  -0.18200 -1.0 2.0
   97    99   105   108   0.29450  1.0 3.0
   98    97    99   100   0.00000  1.0 1.0
   98    97    99   101   0.30150 -1.0 2.0
   98    97    99   105   0.30150 -1.0 2.0
   99   105   108   109   0.15000  1.0 3.0
   99   105   108   110   0.15000  1.0 3.0
   99   105   108   111   0.15000  1.0 3.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   104   0.15000  1.0 3.0
  100    99   105   106   0.15000  1.0 3.0
  100    99   105   107   0.15000  1.0 3.0
  100    99   105   108   0.15000  1.0 3.0
  101    99   105   106   0.15000  1.0 3.0
  101    99   105   107   0.15000  1.0 3.0
  101    99   105   108   0.56750  1.0 1.0
  101    99   105   108  -0.07550 -1.0 2.0
  101    99   105   108   0.20000  1.0 3.0
  105    99   101   102   0.15000  1.0 3.0
  105    99   101   103   0.15000  1.0 3.0
  105    99   101   104   0.15000  1.0 3.0
  106   105   108   109   0.15000  1.0 3.0
  106   105   108   110   0.15000  1.0 3.0
  106   105   108   111   0.15000  1.0 3.0
  107   105   108   109   0.15000  1.0 3.0
  107   105   108   110   0.15000  1.0 3.0
  107   105   108   111   0.15000  1.0 3.0
   73    66    68    69   0.15000  1.0 3.0
   73    66    68    70   0.15000  1.0 3.0
   73    66    68    78   0.56750  1.0 1.0
   73    66    68    78  -0.07550 -1.0 2.0
   73    66    68    78   0.20000  1.0 3.0
   73    66    77    81  -0.25900  1.0 1.0
   73    66    77    81  -0.47000 -1.0 2.0
   73    66    77    81   0.11750  1.0 3.0
   77    66    68    69   0.23400  1.0 3.0
   77    66    68    70   0.23400  1.0 3.0
   77    66    68    78   0.62750  1.0 1.0
   77    66    68    78  -0.30950 -1.0 2.0
   77    66    68    78   0.27300  1.0 3.0
   77    66    73    74   0.23400  1.0 3.0
   77    66    73    75   0.23400  1.0 3.0
   77    66    73    76   0.23400  1.0 3.0
   77    81    91    92   0.00000  1.0 1.0
   77    81    91    93   0.00000  1.0 1.0
   77    81    91    94   0.00000  1.0 1.0
   82    81    91    92   0.00000  1.0 1.0
   82    81    91    93   0.00000  1.0 1.0
   82    81    91    94   0.00000  1.0 1.0
   55    53    54    59   7.00000 -1.0 2.0
   55    53    54    61   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   51    55    53    54   1.10000 -1.0 2.0
   59    61    54    53   1.10000 -1.0 2.0
   67    80    71    72  10.50000 -1.0 2.0
   90    99    97    98  10.50000 -1.0 2.0
   77    91    81    82  10.50000 -1.0 2.0
END
