* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    147    222     423
    1     0 S   NP   _N1_     1    29.04233    94.21179   -19.20954
    2     1 S   H    _HN1     2     1.02954   101.38885    29.06113
    3     1 S   H    _H1_     3     1.02845    37.73538   132.38986
    4     1 S   H    _H2_     4     1.02791    74.70410   -76.96245
    5     1 S   CT   _CA1     5     1.50053   142.16942   176.45884
    6     5 S   HC   _HA1     6     1.09567   105.36407    32.29025
    7     5 S   CO3  _C1_     7     1.53864   112.23758   -88.19264
    8     7 S   O2Z  _O11     8     1.26348   115.03645   -49.60020
    9     7 S   O2Z  _O12     9     1.26237   114.92263   129.86031
   10     5 S   CT   _CB1    10     1.53098   107.46977   150.30327
   11    10 S   HC   HB11    11     1.09814   109.65372   -50.40593
   12    10 S   HC   HB12    12     1.09835   110.31329    66.20212
   13    10 S   CT   _CG1    13     1.52990   112.48485  -171.51487
   14    13 S   HC   HG11    14     1.09446   110.31425   -55.40094
   15    13 S   HC   HG12    15     1.09603   110.27025    63.64201
   16    13 S   C    _CD1    16     1.51694   111.93407  -176.09219
   17    16 S   O    _OE1    17     1.22744   123.00723   -18.77764
   18    16 S   N    _N2_    18     1.38573   111.82451   161.98413
   19    18 S   H    _HN2    19     1.01577   119.19421     1.62257
   20    18 S   CT1  _CA2    20     1.46183   123.31645  -177.42861
   21    20 S   HC   _HA2    21     1.09731   109.35974   -13.63177
   22    20 S   C    _C2_    22     1.53435   108.37264  -129.39765
   23    22 S   O    _O2_    23     1.23008   122.25013  -146.34148
   24    20 S   CT   _CB2    32     1.53534   111.35795   108.34798
   25    24 S   HC   HB21    33     1.09570   109.61976    56.21999
   26    24 S   HC   HB22    34     1.09383   109.92443   175.03750
   27    22 S   N    _N3_    24     1.38509   113.34377    41.01500
   28    27 S   H    _HN3    25     1.01535   118.87371    -0.82591
   29    24 S   S    _SG2    35     1.82874   111.67999   -65.08994
   30    27 S   CT   _CA3    26     1.45474   123.63827   175.29697
   31    30 S   HC   HA31    27     1.09512   109.45995    19.24514
   32    30 S   HC   HA32    28     1.09506   107.04623   136.27977
   33    29 S   CT   _C21    36     1.85563   100.28076   161.35303
   34    33 S   HC   _H3_    37     1.09351   106.26338   -35.33155
   35    30 S   CO3  _C3_    29     1.52928   113.03917  -104.40081
   36    35 S   O2Z  _O31    30     1.26419   115.38897   -44.26196
   37    35 S   O2Z  _O32    31     1.26355   114.99066   136.66804
   38    33 S   CM   _C18    38     1.53621   107.73871  -154.66539
   39    38 S   CM   _C16    39     1.47088   113.52783   -81.42946
   40    39 S   HC   _H36    40     1.08669   118.18970   164.97181
   41    38 S   CM   _C20    52     1.36330   123.68389    98.62217
   42    39 S   CM   _C17    41     1.33945   124.96093   -13.64088
   43    42 S   HC   _H37    42     1.08348   121.86555   177.60208
   44    41 S   CA   _C10    53     1.48488   119.94037    -1.77641
   45    41 S   CA   _C11    69     1.48691   121.02340   177.45586
   46    42 S   CO4  _C19    43     1.48288   120.18165    -3.36173
   47    46 S   O    _O23    44     1.22779   119.75088   170.93612
   48    44 S   CA   _C4_    54     1.40022   120.21332   -89.61114
   49    48 S   HA   _H30    55     1.08741   120.73586     0.33513
   50    45 S   CA   _C5_    70     1.40142   120.05863   -78.32831
   51    50 S   HA   _H31    71     1.08740   120.64174     0.23323
   52    33 S   CT   _C22    45     1.54134   113.99280    82.51170
   53    52 S   HC   _H39    46     1.10016   108.03439  -179.38071
   54    48 S   CA   _C6_    56     1.39273   120.06537  -179.33943
   55    54 S   HA   _H32    57     1.08610   119.42093   179.55281
   56    50 S   CA   _C7_    72     1.39304   120.14193   180.00000
   57    56 S   HA   _H33    73     1.08613   119.39999  -179.61999
   58    52 S   OS   _O28    47     1.41898   110.30454   -60.44864
   59    54 S   CA   _C12    58     1.39510   119.68390    -0.13417
   60    56 S   CA   _C13    74     1.39519   119.63622     0.44235
   61    58 S   CT   _C25    48     1.42120   113.43546  -150.31568
   62    61 S   HC   _H46    49     1.09332   108.22936  -177.29448
   63    61 S   HC   _H47    50     1.09430   110.25532    64.28219
   64    61 S   HC   _H48    51     1.09344   111.24986   -58.10395
   65    59 S   CA   _C14    59     1.40044   121.21721     0.15949
   66    59 S   OH   _O24    67     1.37053   119.70804  -179.96574
   67    66 S   HO   _H49    68     0.97228   108.72770    -2.06990
   68    60 S   CA   _C15    75     1.40045   121.19391     0.35718
   69    60 S   OH   _O25    83     1.37049   119.76506  -179.94405
   70    69 S   HO   _H50    84     0.97199   108.82647    -0.05935
   71    44 S   CA   _C8_    60     1.40529   119.96731    91.26070
   72    71 S   HA   _H34    61     1.08640   118.40350    -0.54465
   73    65 S   OS   _O26    62     1.37057   116.07375  -179.98022
   74    45 S   CA   _C9_    76     1.40496   120.19291   102.50792
   75    74 S   HA   _H35    77     1.08659   118.56313    -0.77405
   76    68 S   OS   _O27    78     1.37082   116.07534   179.82529
   77    73 S   CT   _C23    63     1.42219   117.15258   179.80617
   78    77 S   HC   _H40    64     1.09428   107.75023  -179.77794
   79    77 S   HC   _H41    65     1.09498   111.13544    62.49347
   80    77 S   HC   _H42    66     1.09503   111.14772   -62.04327
   81    76 S   CT   _C24    79     1.42255   116.92690  -171.25850
   82    81 S   HC   _H43    80     1.09427   107.75039   175.61519
   83    81 S   HC   _H44    81     1.09466   111.07773    57.91716
   84    81 S   HC   _H45    82     1.09478   111.11228   -66.70806
  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
  14   7   2   1   1  15   9   4  16   6   3  12  11   5   3   8
   4   8   4   6   2   7   3   7   3   4   7   7   3   2   1   1
   9   3   1   9   3   1   3   1   4   3   1   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    52    53    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    52    53    58    61    41    44    45  
   38    39    46    52    53    58    41  
   36    37  
   37  
    0  
   39    40    42    43    46    52    53    58    41    44    48    71    45    50    74  
   40    42    43    46    47    52    41    44    45  
   42    43    46    41  
   44    48    49    54    65    71    72    45    50    51    56    68    74    75    42    52  
   43    46    47    52    53    58  
   46    47    52  
   48    49    54    55    59    65    71    72    73    45    50    74  
   50    51    56    57    60    68    74    75    76    48    71  
   47    52    53    58    61  
   52    53    58  
   49    54    55    59    65    71    72    66  
   54    55    59    71  
   51    56    57    60    68    74    75    69  
   56    57    60    74  
   53    58    61    62    63    64  
   58    61  
   55    59    65    71    73    66    67  
   59    65    66  
   57    60    68    74    76    69    70  
   60    68    69  
   61    62    63    64  
   65    71    72    73    77    66    67  
   68    74    75    76    81    69    70  
   62    63    64  
   63    64  
   64  
    0  
   71    72    73    77    78    79    80    66    67  
   67    71    73  
    0  
   74    75    76    81    82    83    84    69    70  
   70    74    76  
    0  
   72    73    77  
   73  
   77    78    79    80  
   75    76    81  
   76  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   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   317.000  1.510
   33    52   268.000  1.529
   38    39   380.000  1.444
   38    41   549.000  1.340
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    58   320.000  1.410
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    44   320.000  1.460
   41    45   320.000  1.460
   44    48   469.000  1.400
   44    71   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    71   469.000  1.400
   65    73   450.000  1.364
   71    72   367.000  1.080
   73    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   66    67   553.000  0.945
   45    50   469.000  1.400
   45    74   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    68   469.000  1.400
   60    69   450.000  1.364
   68    74   469.000  1.400
   68    76   450.000  1.364
   74    75   367.000  1.080
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   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    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    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    52    46    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    58    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    70.00000  123.01800
   38    41    44    60.00000  123.20500
   38    41    45    60.00000  123.20500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    52    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    52    53    35.00000  109.50000
   46    52    58    90.00000  108.74100
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    46    47    80.00000  120.40000
   52    58    61    60.00000  109.50000
   58    52    53    35.00000  109.50000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    38    39    70.00000  123.01800
   41    44    48    60.00000  120.93500
   41    44    71    60.00000  120.93500
   41    45    50    60.00000  120.93500
   41    45    74    60.00000  120.93500
   44    48    49    35.00000  120.00000
   44    48    54    63.00000  120.00000
   44    71    65    63.00000  120.00000
   44    71    72    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    59    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    59    65    63.00000  120.00000
   54    59    66    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    65    71    63.00000  120.00000
   59    65    73    70.00000  120.00000
   59    66    67    35.00000  113.00000
   65    71    72    35.00000  120.00000
   65    73    77    75.00000  111.00000
   71    44    48    63.00000  120.00000
   73    65    71    70.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   66    59    65    70.00000  120.00000
   45    41    44    60.00000  122.92000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    74    68    63.00000  120.00000
   45    74    75    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    60    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    60    68    63.00000  120.00000
   56    60    69    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    68    74    63.00000  120.00000
   60    68    76    70.00000  120.00000
   60    69    70    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    76    81    75.00000  111.00000
   74    45    50    63.00000  120.00000
   76    68    74    70.00000  120.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    60    68    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    52    46   0.56750  1.0 1.0
   29    33    52    46  -0.07550 -1.0 2.0
   29    33    52    46   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.56750  1.0 1.0
   29    33    52    58  -0.07550 -1.0 2.0
   29    33    52    58   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    52    58    61   0.06250  1.0 1.0
   33    52    58    61  -0.01100 -1.0 2.0
   33    52    58    61   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    52    46  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    58   0.23400  1.0 3.0
   38    33    52    46  -0.98800  1.0 1.0
   38    33    52    46   0.48800 -1.0 2.0
   38    33    52    46   0.76800  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    58   0.61850  1.0 1.0
   38    33    52    58  -0.22750 -1.0 2.0
   38    33    52    58   0.15300  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    48   0.15800  1.0 1.0
   38    41    44    48   1.85350 -1.0 2.0
   38    41    44    48  -0.48700  1.0 3.0
   38    41    44    71   0.15800  1.0 1.0
   38    41    44    71   1.85350 -1.0 2.0
   38    41    44    71  -0.48700  1.0 3.0
   38    41    45    50   0.15800  1.0 1.0
   38    41    45    50   1.85350 -1.0 2.0
   38    41    45    50  -0.48700  1.0 3.0
   38    41    45    74   0.15800  1.0 1.0
   38    41    45    74   1.85350 -1.0 2.0
   38    41    45    74  -0.48700  1.0 3.0
   39    38    41    44   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    52  -0.33500  1.0 1.0
   39    42    46    52   1.06600 -1.0 2.0
   39    42    46    52  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -52    33   0.65300  1.0 1.0
   42    46   -52    33  -0.03850 -1.0 2.0
   42    46   -52    33   0.33900  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    58   0.65300  1.0 1.0
   42    46    52    58  -0.03850 -1.0 2.0
   42    46    52    58   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    52   0.04550  1.0 1.0
   43    42    46    52   0.83000 -1.0 2.0
   43    42    46    52  -0.04000  1.0 3.0
   46    52    58    61  -1.11000  1.0 1.0
   46    52    58    61   0.50250 -1.0 2.0
   46    52    58    61   0.47450  1.0 3.0
   47    46    52    33   0.30150 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    58   0.30150 -1.0 2.0
   52    33   -38    39   0.98200  1.0 1.0
   52    33   -38    39  -0.11900 -1.0 2.0
   52    33   -38    39   0.24250  1.0 3.0
   52    33    38    41   0.09850  1.0 1.0
   52    33    38    41   0.15250 -1.0 2.0
   52    33    38    41  -0.50650  1.0 3.0
   52    58    61    62   0.37050  1.0 3.0
   52    58    61    63   0.37050  1.0 3.0
   52    58    61    64   0.37050  1.0 3.0
   53    52    58    61   0.37050  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    42   0.28850  1.0 1.0
   41    38    39    42   2.61350 -1.0 2.0
   41    38    39    42   0.78400  1.0 3.0
   41    44    48    49   3.62500 -1.0 2.0
   41    44    48    54   3.62500 -1.0 2.0
   41    44    71    65   3.62500 -1.0 2.0
   41    44    71    72   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    56   3.62500 -1.0 2.0
   41    45    74    68   3.62500 -1.0 2.0
   41    45    74    75   3.62500 -1.0 2.0
   44    41    45    50  -0.01750  1.0 1.0
   44    41    45    50  -0.32000 -1.0 2.0
   44    41    45    50   0.00600  1.0 3.0
   44    41    45    74  -0.01750  1.0 1.0
   44    41    45    74  -0.32000 -1.0 2.0
   44    41    45    74   0.00600  1.0 3.0
   44    48    54    55   3.62500 -1.0 2.0
   44    48    54    59   3.62500 -1.0 2.0
   48    44    71    65   3.62500 -1.0 2.0
   48    44    71    72   3.62500 -1.0 2.0
   48    54   -59    65   3.62500 -1.0 2.0
   48    54    59    66   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    59   3.62500 -1.0 2.0
   54    59    65    71   3.62500 -1.0 2.0
   54    59    65    73   3.62500 -1.0 2.0
   54    59    66    67   0.84100 -1.0 2.0
   55    54    59    65   3.62500 -1.0 2.0
   55    54    59    66   3.62500 -1.0 2.0
   59    65   -71    44   3.62500 -1.0 2.0
   59    65    71    72   3.62500 -1.0 2.0
   59    65    73    77   1.63200 -1.0 2.0
   65    59    66    67   0.84100 -1.0 2.0
   65    73    77    78   0.08050  1.0 3.0
   65    73    77    79   0.08050  1.0 3.0
   65    73    77    80   0.08050  1.0 3.0
   71    44    48    49   3.62500 -1.0 2.0
   71    44   -48    54   3.62500 -1.0 2.0
   71    65    73    77   1.63200 -1.0 2.0
   73    65    71    44   3.62500 -1.0 2.0
   73    65    71    72   3.62500 -1.0 2.0
   66    59    65    71   3.62500 -1.0 2.0
   66    59    65    73   3.62500 -1.0 2.0
   45    41    44    48  -0.01750  1.0 1.0
   45    41    44    48  -0.32000 -1.0 2.0
   45    41    44    48   0.00600  1.0 3.0
   45    41    44    71  -0.01750  1.0 1.0
   45    41    44    71  -0.32000 -1.0 2.0
   45    41    44    71   0.00600  1.0 3.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    60   3.62500 -1.0 2.0
   50    45    74    68   3.62500 -1.0 2.0
   50    45    74    75   3.62500 -1.0 2.0
   50    56   -60    68   3.62500 -1.0 2.0
   50    56    60    69   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    60   3.62500 -1.0 2.0
   56    60    68    74   3.62500 -1.0 2.0
   56    60    68    76   3.62500 -1.0 2.0
   56    60    69    70   0.84100 -1.0 2.0
   57    56    60    68   3.62500 -1.0 2.0
   57    56    60    69   3.62500 -1.0 2.0
   60    68   -74    45   3.62500 -1.0 2.0
   60    68    74    75   3.62500 -1.0 2.0
   60    68    76    81   1.63200 -1.0 2.0
   68    60    69    70   0.84100 -1.0 2.0
   68    76    81    82   0.08050  1.0 3.0
   68    76    81    83   0.08050  1.0 3.0
   68    76    81    84   0.08050  1.0 3.0
   74    45    50    51   3.62500 -1.0 2.0
   74    45   -50    56   3.62500 -1.0 2.0
   74    68    76    81   1.63200 -1.0 2.0
   76    68    74    45   3.62500 -1.0 2.0
   76    68    74    75   3.62500 -1.0 2.0
   69    60    68    74   3.62500 -1.0 2.0
   69    60    68    76   3.62500 -1.0 2.0
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    39    38    41   1.10000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    52    46    47  10.50000 -1.0 2.0
   44    45    41    38   1.10000 -1.0 2.0
   48    71    44    41   4.00000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   59    55    54    48   1.10000 -1.0 2.0
   65    66    59    54   4.00000 -1.0 2.0
   71    73    65    59   4.00000 -1.0 2.0
   65    72    71    44   1.10000 -1.0 2.0
   50    74    45    41   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   60    57    56    50   1.10000 -1.0 2.0
   68    69    60    56   4.00000 -1.0 2.0
   74    76    68    60   4.00000 -1.0 2.0
   68    75    74    45   1.10000 -1.0 2.0
END
