* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    242     462
    1     0 S   NP   _N1_     1    29.18912    94.31793   -18.66157
    2     1 S   H    _HN1     2     1.02847    41.51292   126.92706
    3     1 S   H    _H1_     3     1.02788    69.79158   -77.91354
    4     1 S   H    _H2_     4     1.02956   103.92253    26.73458
    5     1 S   CT   _CA1     5     1.50100   142.03510  -178.41848
    6     5 S   HC   _HA1     6     1.09560   105.32990    24.17120
    7     5 S   CO3  _C1_     7     1.53901   112.10848   -96.30754
    8     7 S   O2Z  _O11     8     1.26420   115.13020   -48.74017
    9     7 S   O2Z  _O12     9     1.26217   114.92438   130.71198
   10     5 S   CT   _CB1    10     1.53109   107.45420   142.24418
   11    10 S   HC   HB11    11     1.09823   109.70917   -48.01242
   12    10 S   HC   HB12    12     1.09834   110.21426    68.51179
   13    10 S   CT   _CG1    13     1.53124   112.74004  -169.05508
   14    13 S   HC   HG11    14     1.09451   110.57239   -53.18434
   15    13 S   HC   HG12    15     1.09599   110.22976    65.81142
   16    13 S   C    _CD1    16     1.51804   111.51703  -174.27594
   17    16 S   O    _OE1    17     1.22787   122.80536   -21.75528
   18    16 S   N    _N2_    18     1.38549   112.19414   158.99375
   19    18 S   H    _HN2    19     1.01605   119.28724     1.53378
   20    18 S   CT1  _CA2    20     1.46269   123.18366  -177.22999
   21    20 S   HC   _HA2    21     1.09717   109.37867   -14.77786
   22    20 S   C    _C2_    22     1.53399   108.43566  -130.72752
   23    22 S   O    _O2_    23     1.23018   122.19828  -146.28559
   24    20 S   CT   _CB2    32     1.53442   111.39239   107.27700
   25    24 S   HC   HB21    33     1.09150   109.16048    58.58316
   26    24 S   HC   HB22    34     1.09523   110.55874   176.19255
   27    22 S   N    _N3_    24     1.38485   113.36715    41.09994
   28    27 S   H    _HN3    25     1.01528   118.91378    -0.76387
   29    24 S   S    _SG2    35     1.82903   112.04972   -64.52639
   30    27 S   CT   _CA3    26     1.45458   123.48883   175.11529
   31    30 S   HC   HA31    27     1.09519   109.30640    22.83393
   32    30 S   HC   HA32    28     1.09495   107.09727   139.85109
   33    29 S   CT   _C18    36     1.86101   101.09528   137.67934
   34    30 S   CO3  _C3_    29     1.52933   113.09564  -100.69410
   35    34 S   O2Z  _O31    30     1.26410   115.41546   -44.00604
   36    34 S   O2Z  _O32    31     1.26359   114.99537   136.93117
   37    33 S   CM   _C5_    37     1.53934   108.31095   -70.94360
   38    33 S   CT   _C13    59     1.53552   106.92402   164.38054
   39    38 S   HC   _H33    60     1.08958   115.90709    91.40895
   40    38 S   HC   _H34    61     1.09662   113.00099   -36.12895
   41    33 S   OS   _O25    62     1.42973   109.19734    52.95554
   42    37 S   CM   _C4_    38     1.35482   130.41438   107.92335
   43    42 S   HC   _H29    39     1.09631   113.66320  -179.04858
   44    37 S   CT   _C23    81     1.52754   115.01063   -70.23477
   45    44 S   HC   _H49    82     1.09470   111.22847   149.74654
   46    44 S   HC   _H50    83     1.09367   112.43688    30.17747
   47    42 S   CT   _C15    40     1.50731   139.31666     2.06564
   48    47 S   HC   _H37    41     1.10089   104.74929   132.41104
   49    44 S   OH   _O26    84     1.42109   109.62355   -90.92429
   50    49 S   HO   _H51    85     0.97412   106.50772  -172.54165
   51    47 S   CT   _C16    42     1.52593   125.31146     6.03390
   52    51 S   HC   _H38    43     1.09166   111.25544   -46.97176
   53    51 S   CM   _C6_    44     1.50092    99.34095  -155.38381
   54    51 S   CT   _C17    51     1.54476   114.93125    80.06589
   55    54 S   HC   _H39    52     1.09704   108.39830   178.35064
   56    53 S   CO4  _C7_    45     1.47802   108.11577    26.22119
   57    56 S   O    _O21    46     1.21704   127.24452   168.21128
   58    53 S   CM   _C9_    48     1.33601   130.45695  -153.09238
   59    58 S   HC   _H30    49     1.08443   121.34297    -0.73913
   60    58 S   HC   _H31    50     1.08541   121.59571   179.55677
   61    54 S   CT   _C14    53     1.53983   114.74728   -58.90077
   62    61 S   HC   _H35    54     1.09745   108.69540    64.33886
   63    61 S   HC   _H36    55     1.09882   109.20763   176.39131
   64    54 S   OS   _O27    67     1.45176   108.00786    60.16069
   65    47 S   OS   _O24    47     1.44868   106.63587  -116.27540
   66    61 S   CT   _C19    56     1.52823   115.28360   -60.44959
   67    64 S   CO4  _C12    68     1.35864   117.69630   148.92713
   68    67 S   O    _O23    69     1.22101   126.87861     0.23903
   69    66 S   CO4  _C8_    57     1.50721   111.17532   162.47276
   70    69 S   O    _O22    58     1.22378   124.80538    60.81834
   71    66 S   CT   _C22    63     1.52223   113.20494   -71.91946
   72    71 S   HC   _H46    64     1.09503   111.26491    65.01387
   73    71 S   HC   _H47    65     1.09491   111.56867   -56.70244
   74    71 S   HC   _H48    66     1.09655   110.88060  -176.80855
   75    67 S   CM   _C11    70     1.48466   108.51314  -179.13430
   76    75 S   CM   _C10    71     1.34471   120.50506  -135.62408
   77    76 S   HC   _H32    72     1.08924   117.81698  -177.72342
   78    75 S   CT   _C21    77     1.50030   116.94230    46.60729
   79    78 S   HC   _H43    78     1.09487   110.72294   -70.01220
   80    78 S   HC   _H44    79     1.09510   110.41578    50.22804
   81    78 S   HC   _H45    80     1.09521   111.95177   169.85553
   82    76 S   CT   _C20    73     1.49587   128.20807     4.00423
   83    82 S   HC   _H40    74     1.09402   109.97417  -109.21228
   84    82 S   HC   _H41    75     1.09505   109.34228   132.26639
   85    82 S   HC   _H42    76     1.09248   113.50480    12.90422
  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
  17   2   1   1  17  10   5   4  13  13   5   5   3   2  12   6
   1   1  16   8  10  14   6   5   2   3   1   1  11   5   4   6
   1   6   9   3   5   1   3   2   1   1  10   9   5   4   2   1
   1   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    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    66    69    38    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    61    66    69    70    38    39    40    41    71    44    45    46    49  
   35    36  
   36  
    0  
   42    43    47    48    51    65    66    69    38    39    40    41    44    45    46    49    50  
   39    40    41    71    44    42    61    66    69    70  
   40    41    66    69    70  
   41    66    69    70  
   71    72    73    74    44    42    54    61    62    63    66    69    70  
   43    47    48    51    52    53    56    65    54    44    45    46    49  
   47    48    51    65    44  
   45    46    49    50    47  
   46    49    50  
   49    50  
   48    51    52    53    56    57    65    58    54    55    61    64  
   51    52    53    56    65    54  
   50  
    0  
   52    53    56    57    65    58    59    60    54    55    61    62    63    66    64    67  
   53    56    65    58    54    55    61    64  
   56    57    65    58    59    60    54    55    61    64  
   55    61    62    63    66    69    71    64    67    68    75    56    58    65  
   61    62    63    66    64    67  
   57    65    58    59    60  
   65    58  
   59    60    65  
   60  
    0  
   62    63    66    69    70    71    72    73    74    64    67  
   63    66    69    71    64  
   66    69    71    64  
   67    68    75    76    78    66  
    0  
   69    70    71    72    73    74  
   68    75    76    77    82    78    79    80    81  
   75    76    78  
   70    71    72    73    74  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.417900   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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    38   268.000  1.529
   33    41   320.000  1.410
   37    42   549.000  1.340
   37    44   317.000  1.510
   42    43   340.000  1.080
   42    47   317.000  1.510
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    65   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    65   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    69   317.000  1.522
   66    41   320.000  1.410
   66    71   268.000  1.529
   69    70   570.000  1.229
   69    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    67   214.000  1.327
   67    68   570.000  1.229
   67    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   320.000  1.410
   49    50   553.000  0.945
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    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    38    69    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    66    60.00000  109.50000
   37    42    43    35.00000  120.00000
   37    42    47    70.00000  124.00000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    49    90.00000  110.39200
   42    47    48    35.00000  109.50000
   42    47    51    70.00000  112.02700
   42    47    65    85.00000  110.90400
   47    42    43    35.00000  117.00000
   47    51    52    37.50000  110.70000
   47    51    53    70.00000  112.02700
   47    51    54    58.35000  112.70000
   47    65    56    83.00000  116.90000
   51    47    48    37.50000  110.70000
   51    53    56    65.00000  116.34900
   51    53    58    70.00000  124.00000
   51    54    55    37.50000  110.70000
   51    54    61    58.35000  112.70000
   51    54    64    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    65    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   65    47    48    35.00000  109.50000
   65    47    51    50.00000  109.50000
   65    56    57    83.00000  123.40000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    66    58.35000  112.70000
   54    64    67    83.00000  116.90000
   61    54    55    37.50000  110.70000
   61    66    69    63.00000  111.10000
   61    66    41    50.00000  109.50000
   61    66    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    38    70.00000  116.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    38    39    35.00000  109.50000
   69    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    69    70    80.00000  120.40000
   40    38    39    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    38    50.00000  109.50000
   41    66    69    90.00000  108.74100
   71    66    69    63.00000  111.10000
   71    66    41    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    54    55    35.00000  109.50000
   64    54    61    50.00000  109.50000
   64    67    68    83.00000  123.40000
   64    67    75    90.00000  111.29400
   67    75    76    65.00000  118.96000
   67    75    78    65.00000  116.34900
   75    67    68    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    49    50    55.00000  108.50000
   46    44    45    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
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    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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    38    69   0.56750  1.0 1.0
   29    33    38    69  -0.07550 -1.0 2.0
   29    33    38    69   0.20000  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    41    66   0.14700  1.0 1.0
   29    33    41    66  -1.16150 -1.0 2.0
   29    33    41    66   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    49   0.18000  1.0 1.0
   33    37    44    49   0.16450 -1.0 2.0
   33    37    44    49   0.04450  1.0 3.0
   37    33    38    69  -0.98800  1.0 1.0
   37    33    38    69   0.48800 -1.0 2.0
   37    33    38    69   0.76800  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    41    66  -0.77900  1.0 1.0
   37    33    41    66  -0.36900 -1.0 2.0
   37    33    41    66   0.40400  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    51   0.09850  1.0 1.0
   37    42    47    51   0.15250 -1.0 2.0
   37    42    47    51  -0.50650  1.0 3.0
   37    42    47    65   0.39000  1.0 1.0
   37    42    47    65  -0.05800 -1.0 2.0
   37    42    47    65  -0.55150  1.0 3.0
   37    44    49    50  -0.07800  1.0 1.0
   37    44    49    50  -0.21500 -1.0 2.0
   37    44    49    50  -0.03150  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    49   0.67800  1.0 1.0
   42    37    44    49   0.47050 -1.0 2.0
   42    37    44    49  -0.62500  1.0 3.0
   42    47    51    52   0.15000  1.0 3.0
   42    47    51    53   0.31000  1.0 1.0
   42    47    51    53   0.14700 -1.0 2.0
   42    47    51    53   0.07550  1.0 3.0
   42    47    51    54   0.34400  1.0 1.0
   42    47    51    54   0.09450 -1.0 2.0
   42    47    51    54   0.11100  1.0 3.0
   42    47    65    56  -0.82050  1.0 1.0
   42    47    65    56   0.00600 -1.0 2.0
   42    47    65    56   0.04400  1.0 3.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    65   0.00000  1.0 1.0
   47    51   -53    56   0.09700  1.0 1.0
   47    51   -53    56   0.15600 -1.0 2.0
   47    51   -53    56  -0.50800  1.0 3.0
   47    51    53    58   0.09850  1.0 1.0
   47    51    53    58   0.15250 -1.0 2.0
   47    51    53    58  -0.50650  1.0 3.0
   47    51    54    55   0.15000  1.0 3.0
   47    51    54    61   0.56750  1.0 1.0
   47    51    54    61  -0.07550 -1.0 2.0
   47    51    54    61   0.20000  1.0 3.0
   47    51    54    64   0.62750  1.0 1.0
   47    51    54    64  -0.30950 -1.0 2.0
   47    51    54    64   0.27300  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   48    47    65    56   0.08050  1.0 3.0
   51    47   -65    56  -0.25900  1.0 1.0
   51    47   -65    56  -0.47000 -1.0 2.0
   51    47   -65    56   0.11750  1.0 3.0
   51    53    56    57  -0.64400  1.0 1.0
   51    53    56    57   0.26850 -1.0 2.0
   51    53   -56    65  -0.15000  1.0 1.0
   51    53   -56    65   0.89550 -1.0 2.0
   51    53   -56    65  -0.06900  1.0 3.0
   51    53    58    59   7.00000 -1.0 2.0
   51    53    58    60   7.00000 -1.0 2.0
   51    54    61    62   0.15000  1.0 3.0
   51    54    61    63   0.15000  1.0 3.0
   51    54    61    66   0.56750  1.0 1.0
   51    54    61    66  -0.07550 -1.0 2.0
   51    54    61    66   0.20000  1.0 3.0
   51    54    64    67  -0.25900  1.0 1.0
   51    54    64    67  -0.47000 -1.0 2.0
   51    54    64    67   0.11750  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.15000  1.0 3.0
   52    51    54    64   0.23400  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    61   0.34400  1.0 1.0
   53    51    54    61   0.09450 -1.0 2.0
   53    51    54    61   0.11100  1.0 3.0
   53    51    54    64   0.61850  1.0 1.0
   53    51    54    64  -0.22750 -1.0 2.0
   53    51    54    64   0.15300  1.0 3.0
   53    56   -65    47   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   57    56    65    47   3.00000 -1.0 2.0
   65    47    51    52   0.23400  1.0 3.0
   65    47   -51    53   0.61850  1.0 1.0
   65    47   -51    53  -0.22750 -1.0 2.0
   65    47   -51    53   0.15300  1.0 3.0
   65    47    51    54   0.62750  1.0 1.0
   65    47    51    54  -0.30950 -1.0 2.0
   65    47    51    54   0.27300  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    65  -0.56150  1.0 1.0
   58    53    56    65   2.19150 -1.0 2.0
   54    51    53    56   0.09700  1.0 1.0
   54    51    53    56   0.15600 -1.0 2.0
   54    51    53    56  -0.50800  1.0 3.0
   54    51    53    58   0.09850  1.0 1.0
   54    51    53    58   0.15250 -1.0 2.0
   54    51    53    58  -0.50650  1.0 3.0
   54    61    66    69  -0.95700  1.0 1.0
   54    61    66    69  -0.18200 -1.0 2.0
   54    61    66    69   0.29450  1.0 3.0
   54    61    66    41   0.62750  1.0 1.0
   54    61    66    41  -0.30950 -1.0 2.0
   54    61    66    41   0.27300  1.0 3.0
   54    61    66    71   0.56750  1.0 1.0
   54    61    66    71  -0.07550 -1.0 2.0
   54    61    66    71   0.20000  1.0 3.0
   54    64    67    68   3.00000 -1.0 2.0
   54    64    67    75   2.00000 -1.0 2.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    66   0.15000  1.0 3.0
   55    54    64    67   0.08050  1.0 3.0
   61    54    64    67  -0.25900  1.0 1.0
   61    54    64    67  -0.47000 -1.0 2.0
   61    54    64    67   0.11750  1.0 3.0
   61    66    69    70   0.30150 -1.0 2.0
   61    66    69    38   0.60050  1.0 1.0
   61    66    69    38   0.05600 -1.0 2.0
   61    66    69    38   0.26150  1.0 3.0
   61    66    41    33   0.06250  1.0 1.0
   61    66    41    33  -0.01100 -1.0 2.0
   61    66    41    33   0.28050  1.0 3.0
   61    66    71    72   0.15000  1.0 3.0
   61    66    71    73   0.15000  1.0 3.0
   61    66    71    74   0.15000  1.0 3.0
   62    61    66    69  -0.11250  1.0 3.0
   62    61    66    41   0.23400  1.0 3.0
   62    61    66    71   0.15000  1.0 3.0
   63    61    66    69  -0.11250  1.0 3.0
   63    61    66    41   0.23400  1.0 3.0
   63    61    66    71   0.15000  1.0 3.0
   66    69   -38    33   0.60050  1.0 1.0
   66    69   -38    33   0.05600 -1.0 2.0
   66    69   -38    33   0.26150  1.0 3.0
   66    69    38    39   0.00000  1.0 1.0
   66    69    38    40   0.00000  1.0 1.0
   69    66   -41    33  -1.11000  1.0 1.0
   69    66   -41    33   0.50250 -1.0 2.0
   69    66   -41    33   0.47450  1.0 3.0
   69    66    71    72  -0.11250  1.0 3.0
   69    66    71    73  -0.11250  1.0 3.0
   69    66    71    74  -0.11250  1.0 3.0
   70    69    38    33   0.30150 -1.0 2.0
   70    69    38    39   0.00000  1.0 1.0
   70    69    38    40   0.00000  1.0 1.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33   -41    66   0.06250  1.0 1.0
   38    33   -41    66  -0.01100 -1.0 2.0
   38    33   -41    66   0.28050  1.0 3.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    37    44   0.09700  1.0 1.0
   41    33    37    44   0.15600 -1.0 2.0
   41    33    37    44  -0.50800  1.0 3.0
   41    33   -38    69  -0.09450  1.0 1.0
   41    33   -38    69  -1.12950 -1.0 2.0
   41    33   -38    69   0.54000  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    66    69    70   0.30150 -1.0 2.0
   41    66   -69    38   0.55300  1.0 1.0
   41    66   -69    38   1.25850 -1.0 2.0
   41    66   -69    38  -0.23600  1.0 3.0
   41    66    71    72   0.23400  1.0 3.0
   41    66    71    73   0.23400  1.0 3.0
   41    66    71    74   0.23400  1.0 3.0
   71    66    69    70   0.30150 -1.0 2.0
   71    66    69    38   0.60050  1.0 1.0
   71    66    69    38   0.05600 -1.0 2.0
   71    66    69    38   0.26150  1.0 3.0
   71    66    41    33   0.06250  1.0 1.0
   71    66    41    33  -0.01100 -1.0 2.0
   71    66    41    33   0.28050  1.0 3.0
   64    54    61    62   0.23400  1.0 3.0
   64    54    61    63   0.23400  1.0 3.0
   64    54    61    66   0.62750  1.0 1.0
   64    54    61    66  -0.30950 -1.0 2.0
   64    54    61    66   0.27300  1.0 3.0
   64    67    75    76  -0.56150  1.0 1.0
   64    67    75    76   2.19150 -1.0 2.0
   64    67    75    78  -0.15000  1.0 1.0
   64    67    75    78   0.89550 -1.0 2.0
   64    67    75    78  -0.06900  1.0 3.0
   67    75    76    77   7.00000 -1.0 2.0
   67    75    76    82   7.00000 -1.0 2.0
   67    75    78    79   0.15000  1.0 3.0
   67    75    78    80   0.15000  1.0 3.0
   67    75    78    81   0.15000  1.0 3.0
   68    67    75    76   1.00000 -1.0 2.0
   68    67    75    78  -0.64400  1.0 1.0
   68    67    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   51    56    53    58   1.10000 -1.0 2.0
   53    65    56    57  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   66    38    69    70  10.50000 -1.0 2.0
   64    75    67    68  10.50000 -1.0 2.0
   67    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
