* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    227     432
    1     0 S   NP   _N1_     1    29.13471    92.01484   -20.09862
    2     1 S   H    _HN1     2     1.02947   103.28844    24.45812
    3     1 S   H    _H1_     3     1.02841    24.10429   126.56219
    4     1 S   H    _H2_     4     1.02774    87.19368   -83.75991
    5     1 S   CT   _CA1     5     1.50083   132.01107   158.49289
    6     5 S   HC   _HA1     6     1.09578   105.21478    45.86701
    7     5 S   CO3  _C1_     7     1.53753   112.41482   -74.28433
    8     7 S   O2Z  _O11     8     1.26368   115.03055   -43.42884
    9     7 S   O2Z  _O12     9     1.26226   114.81717   135.78758
   10     5 S   CT   _CB1    10     1.53099   107.48935   163.75342
   11    10 S   HC   HB11    11     1.09820   109.28836   -51.13843
   12    10 S   HC   HB12    12     1.09818   110.43485    65.41357
   13    10 S   CT   _CG1    13     1.53011   112.66573  -172.27473
   14    13 S   HC   HG11    14     1.09613   110.38931   -64.35966
   15    13 S   HC   HG12    15     1.09656   110.01078    54.84571
   16    13 S   C    _CD1    16     1.51829   112.39340   175.15426
   17    16 S   O    _OE1    17     1.22719   123.31779    -3.29099
   18    16 S   N    _N2_    18     1.38616   111.56792   176.92712
   19    18 S   H    _HN2    19     1.01602   118.91043     1.32574
   20    18 S   CT1  _CA2    20     1.46290   123.52175   180.00000
   21    20 S   HC   _HA2    21     1.09734   109.41156   -10.23318
   22    20 S   C    _C2_    22     1.53388   108.31024  -125.76828
   23    22 S   O    _O2_    23     1.23024   122.41392  -147.57774
   24    20 S   CT   _CB2    32     1.53439   111.20036   111.98005
   25    24 S   HC   HB21    33     1.09289   109.28538    55.40066
   26    24 S   HC   HB22    34     1.09513   110.65083   173.44928
   27    22 S   N    _N3_    24     1.38378   113.43569    39.93672
   28    27 S   H    _HN3    25     1.01647   119.48899    -3.66800
   29    24 S   S    _SG2    35     1.83052   111.01866   -67.93025
   30    27 S   CT   _CA3    26     1.45287   123.11361   176.93114
   31    30 S   HC   HA31    27     1.09552   107.54041   -63.40319
   32    30 S   HC   HA32    28     1.09558   107.92580    52.99572
   33    29 S   CT   _C22    36     1.86333   102.64829   143.24305
   34    30 S   CO3  _C3_    29     1.52930   114.14863   174.96904
   35    34 S   O2Z  _O31    30     1.26363   116.05815    -0.73754
   36    34 S   O2Z  _O32    31     1.26430   114.41069   179.31729
   37    33 S   CT   _C19    37     1.53412   109.80169    54.06269
   38    37 S   HC   _H39    38     1.09460   112.25306   -70.13787
   39    37 S   HC   _H40    39     1.09643   111.58884    51.31340
   40    37 S   HC   _H41    40     1.09507   111.34608   170.28266
   41    33 S   CT   _C20    41     1.53985   104.50892   171.60174
   42    41 S   HC   _H42    42     1.09666   111.72381    64.07564
   43    41 S   HC   _H43    43     1.09717   111.69879   -57.04327
   44    41 S   HC   _H44    44     1.09441   111.81205  -175.88872
   45    33 S   CT   _C21    45     1.54496   108.14672   -69.65976
   46    45 S   HC   _H45    46     1.09869   109.45355   -54.70406
   47    45 S   HC   _H46    47     1.09578   110.39649    64.02599
   48    45 S   CO4  _C13    48     1.51768   116.47488  -175.27171
   49    48 S   O    _O21    49     1.22104   126.40287    -0.04423
   50    48 S   OS   _O24    50     1.36667   108.11987   179.45035
   51    50 S   CT   _C15    51     1.45083   117.89912  -175.90720
   52    51 S   HC   _H32    52     1.09746   109.10918   -33.39459
   53    51 S   CT   _C14    53     1.52799   108.13547    86.24823
   54    53 S   HC   _H30    54     1.09640   110.06294   -46.67408
   55    53 S   HC   _H31    55     1.09588   110.43486  -165.79979
   56    51 S   CT   _C16    65     1.54554   108.86629  -152.90695
   57    53 S   CA   _C7_    56     1.50332   110.38024    74.08890
   58    56 S   CT   _C17    66     1.53836   110.06279    54.24898
   59    58 S   HC   _H33    67     1.09647   110.82096   178.44518
   60    58 S   HC   _H34    68     1.09493   111.56386    57.60147
   61    58 S   HC   _H35    69     1.09582   111.39304   -63.98555
   62    56 S   CT   _C18    70     1.53829   112.02291   174.65632
   63    62 S   HC   _H36    71     1.09642   110.66442  -177.93190
   64    62 S   HC   _H37    72     1.09470   112.03527    64.28960
   65    62 S   HC   _H38    73     1.09493   111.40406   -57.30716
   66    57 S   CA   _C4_    57     1.40542   119.55786  -160.86516
   67    66 S   HA   _H26    58     1.08818   119.47042     0.02798
   68    66 S   CA   _C6_    59     1.39673   120.48514   179.00791
   69    68 S   CA   _C8_    60     1.39021   118.86353     0.78957
   70    69 S   CA   _C5_    61     1.39194   121.67102     0.06853
   71    70 S   HA   _H27    62     1.08637   120.25192  -179.50822
   72    69 S   OS   _O22    74     1.40948   120.75361  -179.34032
   73    57 S   CA   _C9_    63     1.40098   120.95758    19.63609
   74    72 S   CO4  _C12    75     1.38992   121.41208     1.54877
   75    74 S   O    _O20    76     1.22635   122.10127   178.47761
   76    73 S   OS   _O23    64     1.36846   124.10817    -0.78110
   77    74 S   CM   _C11    77     1.47453   116.86194    -2.09031
   78    77 S   HC   _H29    78     1.08415   117.10148  -178.95264
   79    68 S   CM   _C10    79     1.45301   122.26575  -178.57481
   80    79 S   HC   _H28    80     1.08424   119.11064    -1.09002
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  10  17   8  12   5   4  12   9   9   4   3   2   5   3   2
   1  10   4  10  10   6   3   6   1   5   3   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    56  
   50    51  
   51    52    53    54    55    57    76    56    58    62  
   52    53    54    55    57    66    73    76    56    58    59    60    61    62    63    64    65  
   53    54    55    57    76    56    58    62  
   54    55    57    66    67    68    70    73    76    56    58    62  
   55    57    66    73    56  
   57    66    73    56  
   58    59    60    61    62    63    64    65    57    70    73    76  
   66    67    68    69    70    71    73    76    79  
   59    60    61    62    63    64    65    73    76  
   60    61    62    76  
   61    62    76  
   62    76  
   63    64    65    73    76  
   64    65    76  
   65    76  
   76  
   67    68    69    70    73    76    72    77    79    80  
   68    69    73    79  
   69    70    71    73    72    74    77    78    79    80  
   70    71    73    76    72    74    75    77    79    80  
   71    73    76    72    74    79  
   73    76    72  
   74    75    77    78    79    73  
   76  
   75    77    78    79    80  
   77    78    79  
    0  
   78    79    80  
   79    80  
   80  
    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   0.167500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    66   469.000  1.400
   57    73   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    79   320.000  1.460
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    76   450.000  1.364
   76    56   320.000  1.410
   56    58   268.000  1.529
   56    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    77   320.000  1.462
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    57    70.00000  112.17500
   51    56    76    50.00000  109.50000
   51    56    58    58.35000  112.70000
   51    56    62    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    66    70.00000  120.00000
   53    57    73    70.00000  120.00000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    66    67    35.00000  120.00000
   57    66    68    63.00000  120.00000
   57    73    70    63.00000  120.00000
   57    73    76    70.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    79    60.00000  120.93500
   68    66    67    35.00000  120.00000
   68    69    70    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    79    77    60.00000  123.20500
   68    79    80    40.00000  117.26300
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    85.00000  115.98000
   70    73    76    70.00000  120.00000
   73    57    66    63.00000  120.00000
   73    70    71    35.00000  120.00000
   73    76    56    75.00000  111.00000
   76    56    58    50.00000  109.50000
   76    56    62    50.00000  109.50000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    56    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   72    69    70    70.00000  120.00000
   72    74    75    83.00000  123.40000
   72    74    77    90.00000  111.29400
   74    77    78    40.00000  117.72500
   74    77    79    65.00000  118.96000
   77    74    75    80.00000  123.72100
   77    79    80    35.00000  120.00000
   79    68    69    60.00000  120.93500
   79    77    78    35.00000  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.25900  1.0 1.0
   48    50    51    53  -0.47000 -1.0 2.0
   48    50    51    53   0.11750  1.0 3.0
   48    50    51    56  -0.25900  1.0 1.0
   48    50    51    56  -0.47000 -1.0 2.0
   48    50    51    56   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    57  -0.64350  1.0 1.0
   50    51    53    57  -0.04200 -1.0 2.0
   50    51    53    57   0.19800  1.0 3.0
   50    51    56    76   1.11900  1.0 1.0
   50    51    56    76  -1.16350 -1.0 2.0
   50    51    56    76  -0.34150  1.0 3.0
   50    51    56    58   0.62750  1.0 1.0
   50    51    56    58  -0.30950 -1.0 2.0
   50    51    56    58   0.27300  1.0 3.0
   50    51    56    62   0.62750  1.0 1.0
   50    51    56    62  -0.30950 -1.0 2.0
   50    51    56    62   0.27300  1.0 3.0
   51    53    57    66   0.04150 -1.0 2.0
   51    53    57    73   0.04150 -1.0 2.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    60   0.15000  1.0 3.0
   51    56    58    61   0.15000  1.0 3.0
   51    56    62    63   0.15000  1.0 3.0
   51    56    62    64   0.15000  1.0 3.0
   51    56    62    65   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    57   0.43200  1.0 3.0
   52    51    56    76   0.23400  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   53    51    56    76   0.62750  1.0 1.0
   53    51    56    76  -0.30950 -1.0 2.0
   53    51    56    76   0.27300  1.0 3.0
   53    51    56    58   0.56750  1.0 1.0
   53    51    56    58  -0.07550 -1.0 2.0
   53    51    56    58   0.20000  1.0 3.0
   53    51    56    62   0.56750  1.0 1.0
   53    51    56    62  -0.07550 -1.0 2.0
   53    51    56    62   0.20000  1.0 3.0
   53    57    66    67   3.62500 -1.0 2.0
   53    57    66    68   3.62500 -1.0 2.0
   53    57    73    70   3.62500 -1.0 2.0
   53    57   -73    76   3.62500 -1.0 2.0
   54    53    57    66   0.00000  1.0 1.0
   54    53    57    73   0.00000  1.0 1.0
   55    53    57    66   0.00000  1.0 1.0
   55    53    57    73   0.00000  1.0 1.0
   57    66    68    69   3.62500 -1.0 2.0
   57    66    68    79   3.62500 -1.0 2.0
   57    73    76    56   1.63200 -1.0 2.0
   66    57    73    70   3.62500 -1.0 2.0
   66    57    73    76   3.62500 -1.0 2.0
   66    68   -69    70   3.62500 -1.0 2.0
   66    68    69    72   3.62500 -1.0 2.0
   66    68    79    77   0.15800  1.0 1.0
   66    68    79    77   1.85350 -1.0 2.0
   66    68    79    77  -0.48700  1.0 3.0
   66    68    79    80   0.56550  1.0 3.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    79   3.62500 -1.0 2.0
   68    69    70    71   3.62500 -1.0 2.0
   68    69    70    73   3.62500 -1.0 2.0
   68    69    72    74   0.01300  1.0 1.0
   68    69    72    74   0.97950 -1.0 2.0
   68    69    72    74  -0.55700  1.0 3.0
   69    68    79    77   0.15800  1.0 1.0
   69    68    79    77   1.85350 -1.0 2.0
   69    68    79    77  -0.48700  1.0 3.0
   69    68    79    80   0.56550  1.0 3.0
   69    70   -73    57   3.62500 -1.0 2.0
   69    70    73    76   3.62500 -1.0 2.0
   69    72    74    75   3.00000 -1.0 2.0
   69    72   -74    77   2.00000 -1.0 2.0
   70    69    72    74   0.01300  1.0 1.0
   70    69    72    74   0.97950 -1.0 2.0
   70    69    72    74  -0.55700  1.0 3.0
   70    73    76    56   1.63200 -1.0 2.0
   71    70    73    57   3.62500 -1.0 2.0
   71    70    73    76   3.62500 -1.0 2.0
   73    57    66    67   3.62500 -1.0 2.0
   73    57   -66    68   3.62500 -1.0 2.0
   73    76   -56    51  -0.32850  1.0 1.0
   73    76   -56    51  -0.35800 -1.0 2.0
   73    76   -56    51   0.33950  1.0 3.0
   73    76    56    58  -0.32850  1.0 1.0
   73    76    56    58  -0.35800 -1.0 2.0
   73    76    56    58   0.33950  1.0 3.0
   73    76    56    62  -0.32850  1.0 1.0
   73    76    56    62  -0.35800 -1.0 2.0
   73    76    56    62   0.33950  1.0 3.0
   76    56    58    59   0.23400  1.0 3.0
   76    56    58    60   0.23400  1.0 3.0
   76    56    58    61   0.23400  1.0 3.0
   76    56    62    63   0.23400  1.0 3.0
   76    56    62    64   0.23400  1.0 3.0
   76    56    62    65   0.23400  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51   -53    57  -0.03700  1.0 1.0
   56    51   -53    57   0.37200 -1.0 2.0
   56    51   -53    57  -0.47300  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  1.0 3.0
   62    56    58    59   0.15000  1.0 3.0
   62    56    58    60   0.15000  1.0 3.0
   62    56    58    61   0.15000  1.0 3.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   72    74    77    78   1.63100 -1.0 2.0
   72    74    77    79  -0.56150  1.0 1.0
   72    74    77    79   2.19150 -1.0 2.0
   74    77   -79    68   7.00000 -1.0 2.0
   74    77    79    80   7.00000 -1.0 2.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   1.00000 -1.0 2.0
   78    77    79    68   7.00000 -1.0 2.0
   78    77    79    80   7.00000 -1.0 2.0
   79    68    69    70   3.62500 -1.0 2.0
   79    68   -69    72   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
   36    30    34    35  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   66    73    57    53   4.00000 -1.0 2.0
   68    67    66    57   1.10000 -1.0 2.0
   69    79    68    66   4.00000 -1.0 2.0
   70    72    69    68   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    76    73    57   4.00000 -1.0 2.0
   72    77    74    75  10.50000 -1.0 2.0
   74    78    77    79   1.10000 -1.0 2.0
   68    80    79    77   1.10000 -1.0 2.0
END
