* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    144    213     414
    1     0 S   NP   _N1_     1    28.78378    96.17156   -21.33337
    2     1 S   H    _HN1     2     1.02783    91.92032   -98.89667
    3     1 S   H    _H1_     3     1.02948    75.89357     9.55870
    4     1 S   H    _H2_     4     1.02825    42.28012   146.25748
    5     1 S   CT   _CA1     5     1.50157   150.26088   116.06265
    6     5 S   HC   _HA1     6     1.09566   105.19698    80.62990
    7     5 S   CO3  _C1_     7     1.53818   112.21124   -39.64609
    8     7 S   O2Z  _O11     8     1.26389   114.99236   -45.16132
    9     7 S   O2Z  _O12     9     1.26204   114.96945   133.64066
   10     5 S   CT   _CB1    10     1.53047   107.36617  -161.34471
   11    10 S   HC   HB11    11     1.09833   109.52974   -47.86694
   12    10 S   HC   HB12    12     1.09814   110.41961    68.79385
   13    10 S   CT   _CG1    13     1.52966   112.58155  -168.75463
   14    13 S   HC   HG11    14     1.09469   110.64863   -62.53908
   15    13 S   HC   HG12    15     1.09659   109.86539    56.62277
   16    13 S   C    _CD1    16     1.51788   112.10507   176.95535
   17    16 S   O    _OE1    17     1.22756   123.26984     2.39898
   18    16 S   N    _N2_    18     1.38570   111.75445  -177.28358
   19    18 S   H    _HN2    19     1.01655   118.99035     0.35663
   20    18 S   CT1  _CA2    20     1.46268   123.44095   178.79439
   21    20 S   HC   _HA2    21     1.09727   109.33896     5.79065
   22    20 S   C    _C2_    22     1.53548   109.09890  -110.02409
   23    22 S   O    _O2_    23     1.23095   122.18740  -149.48510
   24    20 S   CT   _CB2    32     1.53312   111.17558   127.65645
   25    24 S   HC   HB21    33     1.09350   108.93358    58.58475
   26    24 S   HC   HB22    34     1.09496   110.55797   176.86543
   27    22 S   N    _N3_    24     1.38315   113.88070    38.13109
   28    27 S   H    _HN3    25     1.01572   119.59420    -3.62774
   29    24 S   S    _SG2    35     1.83066   111.00534   -63.71567
   30    27 S   CT   _CA3    26     1.45275   123.15078   177.02948
   31    30 S   HC   HA31    27     1.09551   107.56529   -63.35170
   32    30 S   HC   HA32    28     1.09561   107.90154    53.04624
   33    29 S   CT   _C16    36     1.86881   101.25743   153.87072
   34    30 S   CO3  _C3_    29     1.52945   114.16202   175.06672
   35    34 S   O2Z  _O31    30     1.26365   116.11715     1.33178
   36    34 S   O2Z  _O32    31     1.26437   114.39497  -178.64882
   37    33 S   CM   _C12    37     1.55294   112.42231   -57.09086
   38    33 S   CT   _C18    78     1.54081   107.22401   179.75531
   39    38 S   HC   _H36    79     1.09769   111.58101   -61.18447
   40    38 S   HC   _H37    80     1.09538   111.10393  -179.65170
   41    38 S   HC   _H38    81     1.09420   113.26433    59.96455
   42    37 S   CT   _C15    38     1.55826   116.64286   125.75679
   43    42 S   HC   _H32    39     1.10100   106.46902  -139.12104
   44    37 S   CMA  _C14    68     1.37843   124.16065   -53.09625
   45    44 S   OM   _O21    69     1.27032   125.13013   176.39495
   46    42 S   CA   _C8_    40     1.53283   112.19616   103.04503
   47    42 S   CM   _C10    53     1.51329   114.55432   -24.87636
   48    44 S   OS   _O26    70     1.41554   112.36921    -2.84290
   49    46 S   CA   _C5_    41     1.40622   119.67883   110.89594
   50    49 S   HA   _H29    42     1.08782   120.24649    -0.17583
   51    47 S   CM   _C11    54     1.34352   121.87365    24.68380
   52    47 S   CO4  _C13    61     1.48071   116.75997  -155.38555
   53    52 S   O    _O23    62     1.22096   124.04063   -62.64742
   54    48 S   CT   _C21    71     1.43131   115.99261  -153.21880
   55    54 S   HC   _H45    72     1.09568   110.23838   -67.87022
   56    54 S   HC   _H46    73     1.09637   110.27801    53.64665
   57    49 S   CA   _C4_    43     1.39720   121.06723   179.97202
   58    57 S   HA   _H28    44     1.08650   119.74867   179.85463
   59    33 S   NE   _N19    55     1.46025   105.30259    66.55973
   60    59 S   H    _H47    56     1.01600   115.66533    56.39465
   61    51 S   CT   _C17    57     1.50557   124.77902   174.96339
   62    61 S   HC   _H33    58     1.09505   110.04254   110.52230
   63    61 S   HC   _H34    59     1.09349   113.37230   -10.73264
   64    61 S   HC   _H35    60     1.09588   110.21742  -130.17281
   65    52 S   OS   _O25    63     1.35963   108.70889   114.77564
   66    54 S   CT   _C19    74     1.51767   107.84673   172.91925
   67    66 S   HC   _H39    75     1.09498   110.58565   -59.80776
   68    66 S   HC   _H40    76     1.09491   110.71399    58.41191
   69    66 S   HC   _H41    77     1.09349   110.87862   179.39445
   70    57 S   CA   _C6_    45     1.39253   120.26645    -0.16071
   71    70 S   HA   _H30    46     1.08626   118.95533  -179.69226
   72    65 S   CT   _C20    64     1.42993   115.09220  -178.32883
   73    72 S   HC   _H42    65     1.09326   108.11038  -179.51503
   74    72 S   HC   _H43    66     1.09423   110.27664    61.78142
   75    72 S   HC   _H44    67     1.09426   110.30185   -60.81175
   76    70 S   CA   _C9_    47     1.39635   118.99907    -0.15949
   77    46 S   CA   _C7_    48     1.40408   121.81588   -69.63477
   78    77 S   HA   _H31    49     1.08590   119.58142    -0.08156
   79    76 S   NO2  _N20    50     1.45843   119.37556  -179.76510
   80    79 S   ON   _O22    51     1.23874   117.73576   157.95226
   81    79 S   ON   _O24    52     1.23881   117.67197   -21.99702
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  12  13   7
   8   4   9   8   2   6   5   4   6   3   5   1   3   2   1   1
   4   3   2   1   1   7   3   3   2   1   1   5   4   1   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    59    60    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    59    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    77    47    51    59    60    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    59    60  
   40    41    59  
   41    59  
   59  
   43    46    49    50    57    76    77    78    47    51    59    61    52    53    65    44    45    48  
   46    49    77    47    51    52    44  
   45    48    54    55    56    66    46    47    59  
   48    54  
   49    50    57    58    70    76    77    78    79    47    51    52  
   51    59    60    61    62    63    64    52    53    65    72    49    77  
   54    55    56    66    67    68    69  
   50    57    58    70    71    76    77    78  
   57    58    70    77  
   59    60    61    62    63    64    52    53    65  
   53    65    72    73    74    75    59    61  
   65    72  
   55    56    66    67    68    69  
   56    66    67    68    69  
   66    67    68    69  
   58    70    71    76    77    79  
   70    71    76  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   72    73    74    75  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    78    79    80    81  
   76    77    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81  
   78    79    80    81  
   79  
   80    81  
   81  
    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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   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   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   80   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   81   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    59   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    77   469.000  1.400
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   469.000  1.400
   76    79   400.000  1.460
   77    78   367.000  1.080
   79    80   550.000  1.225
   79    81   550.000  1.225
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    59   425.000  1.378
   51    61   317.000  1.510
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   570.000  1.229
   52    65   214.000  1.327
   65    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    59    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    51    50.00000  121.00000
   33    59    60    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    77    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    57    63.00000  120.00000
   46    77    76    63.00000  120.00000
   46    77    78    35.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    70    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    70    71    35.00000  120.00000
   57    70    76    63.00000  120.00000
   70    57    58    35.00000  120.00000
   70    76    77    63.00000  120.00000
   70    76    79    85.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    79    80    80.00000  117.50000
   76    79    81    80.00000  117.50000
   77    46    49    63.00000  120.00000
   79    76    77    85.00000  120.00000
   81    79    80    80.00000  125.30000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    59    70.00000  124.03900
   47    51    61    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    65    90.00000  111.29400
   51    59    60    35.00000  114.50000
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   59    33    37    80.00000  112.42400
   61    51    59    75.00000  116.24600
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    65    72    83.00000  116.90000
   65    52    53    83.00000  123.40000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    66    50.00000  109.50000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    69    37.50000  110.70000
   56    54    55    33.00000  107.80000
   66    54    55    37.50000  110.70000
   66    54    56    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    59    51  -0.12500  1.0 1.0
   29    33    59    51  -0.12500 -1.0 2.0
   29    33    59    51   0.25000  1.0 3.0
   29    33    59    60  -0.12500  1.0 1.0
   29    33    59    60  -0.12500 -1.0 2.0
   29    33    59    60   0.25000  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    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    59    51  -0.12500  1.0 1.0
   37    33    59    51  -0.12500 -1.0 2.0
   37    33    59    51   0.25000  1.0 3.0
   37    33    59    60  -0.12500  1.0 1.0
   37    33    59    60  -0.12500 -1.0 2.0
   37    33    59    60   0.25000  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    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    77   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    57   3.62500 -1.0 2.0
   42    46    77    76   3.62500 -1.0 2.0
   42    46    77    78   3.62500 -1.0 2.0
   42    47    51    59   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    65  -0.15000  1.0 1.0
   42    47    52    65   0.89550 -1.0 2.0
   42    47    52    65  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    77   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    57    58   3.62500 -1.0 2.0
   46    49    57    70   3.62500 -1.0 2.0
   49    46    77    76   3.62500 -1.0 2.0
   49    46    77    78   3.62500 -1.0 2.0
   49    57    70    71   3.62500 -1.0 2.0
   49    57   -70    76   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    70   3.62500 -1.0 2.0
   57    70    76    77   3.62500 -1.0 2.0
   57    70    76    79   3.62500 -1.0 2.0
   58    57    70    71   3.62500 -1.0 2.0
   58    57    70    76   3.62500 -1.0 2.0
   70    76   -77    46   3.62500 -1.0 2.0
   70    76    77    78   3.62500 -1.0 2.0
   70    76    79    80   0.69950 -1.0 2.0
   70    76    79    81   0.69950 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    79   3.62500 -1.0 2.0
   77    46    49    50   3.62500 -1.0 2.0
   77    46   -49    57   3.62500 -1.0 2.0
   77    76    79    80   0.69950 -1.0 2.0
   77    76    79    81   0.69950 -1.0 2.0
   79    76    77    46   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    77   0.18050 -1.0 2.0
   47    51   -59    33  -0.54700  1.0 1.0
   47    51   -59    33   1.23000 -1.0 2.0
   47    51    59    60   1.00000 -1.0 2.0
   47    51    61    62   0.00000  1.0 1.0
   47    51    61    63   0.00000  1.0 1.0
   47    51    61    64   0.00000  1.0 1.0
   47    52    65    72   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    65  -0.56150  1.0 1.0
   51    47    52    65   2.19150 -1.0 2.0
   59    33   -37    42   0.09700  1.0 1.0
   59    33   -37    42   0.15600 -1.0 2.0
   59    33   -37    42  -0.50800  1.0 3.0
   59    33    37    44   0.62150  1.0 1.0
   59    33    37    44   0.42850 -1.0 2.0
   59    33    37    44  -0.68200  1.0 3.0
   59    33    38    39   0.22950  1.0 3.0
   59    33    38    40   0.22950  1.0 3.0
   59    33    38    41   0.22950  1.0 3.0
   59    51    61    62  -0.18050  1.0 3.0
   59    51    61    63  -0.18050  1.0 3.0
   59    51    61    64  -0.18050  1.0 3.0
   61    51    59    33   1.00000 -1.0 2.0
   61    51    59    60   2.40850 -1.0 2.0
   52    47    51    59   7.00000 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   52    65    72    73   0.08050  1.0 3.0
   52    65    72    74   0.08050  1.0 3.0
   52    65    72    75   0.08050  1.0 3.0
   53    52    65    72   3.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    66  -0.46850  1.0 1.0
   44    48    54    66   0.09300 -1.0 2.0
   44    48    54    66  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    66    67   0.23400  1.0 3.0
   48    54    66    68   0.23400  1.0 3.0
   48    54    66    69   0.23400  1.0 3.0
   55    54    66    67   0.15000  1.0 3.0
   55    54    66    68   0.15000  1.0 3.0
   55    54    66    69   0.15000  1.0 3.0
   56    54    66    67   0.15000  1.0 3.0
   56    54    66    68   0.15000  1.0 3.0
   56    54    66    69   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    59    51   0.25450  1.0 1.0
   38    33    59    51  -0.61700 -1.0 2.0
   38    33    59    51  -0.23550  1.0 3.0
   38    33    59    60   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    77    46    42   4.00000 -1.0 2.0
   57    50    49    46   1.10000 -1.0 2.0
   70    58    57    49   1.10000 -1.0 2.0
   76    71    70    57   1.10000 -1.0 2.0
   77    79    76    70   4.00000 -1.0 2.0
   76    78    77    46   1.10000 -1.0 2.0
   81    76    79    80  10.50000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   61    59    51    47   1.10000 -1.0 2.0
   60    51    59    33   1.00000 -1.0 2.0
   47    65    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
