* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    220     418
    1     0 S   NP   _N1_     1    29.87373    99.51243   -19.38439
    2     1 S   H    _HN1     2     1.02795    90.66881   -95.73845
    3     1 S   H    _H1_     3     1.02940    51.80685    17.44073
    4     1 S   H    _H2_     4     1.02825    66.97563   155.01903
    5     1 S   CT   _CA1     5     1.50146   155.76716    65.55808
    6     5 S   HC   _HA1     6     1.09567   105.09802   138.89775
    7     5 S   CO3  _C1_     7     1.53737   112.79288    18.81714
    8     7 S   O2Z  _O11     8     1.26388   114.98819   -33.60002
    9     7 S   O2Z  _O12     9     1.26240   115.00286   145.59505
   10     5 S   CT   _CB1    10     1.53056   107.41908  -102.97256
   11    10 S   HC   HB11    11     1.09843   109.33562   -47.66867
   12    10 S   HC   HB12    12     1.09812   110.40867    68.93923
   13    10 S   CT   _CG1    13     1.53026   112.72538  -168.58775
   14    13 S   HC   HG11    14     1.09523   110.76807   -70.75162
   15    13 S   HC   HG12    15     1.09645   109.68086    48.50931
   16    13 S   C    _CD1    16     1.51760   111.64687   169.40818
   17    16 S   O    _OE1    17     1.22770   122.93563    22.89250
   18    16 S   N    _N2_    18     1.38575   112.06402  -157.80021
   19    18 S   H    _HN2    19     1.01533   119.04752     1.42930
   20    18 S   CT1  _CA2    20     1.46247   123.39817   177.08624
   21    20 S   HC   _HA2    21     1.09733   109.38177     2.78657
   22    20 S   C    _C2_    22     1.53496   108.53054  -112.73535
   23    22 S   O    _O2_    23     1.23043   122.25869  -148.09942
   24    20 S   CT   _CB2    32     1.53267   111.45951   124.85193
   25    24 S   HC   HB21    33     1.09426   109.94274    59.38819
   26    24 S   HC   HB22    34     1.09527   110.48322   177.46441
   27    22 S   N    _N3_    24     1.38316   113.63543    39.21641
   28    27 S   H    _HN3    25     1.01579   119.52961    -3.04722
   29    24 S   S    _SG2    35     1.82818   110.86578   -63.76722
   30    27 S   CT   _CA3    26     1.45272   123.36913   177.37266
   31    30 S   HC   HA31    27     1.09543   107.48499   -65.73779
   32    30 S   HC   HA32    28     1.09552   108.04306    50.74650
   33    29 S   CT   _C17    36     1.86185   101.03878   136.97795
   34    30 S   CO3  _C3_    29     1.52995   113.97705   172.76020
   35    34 S   O2Z  _O31    30     1.26396   116.06228    -0.68414
   36    34 S   O2Z  _O32    31     1.26419   114.42790   179.38452
   37    33 S   CT   _C14    37     1.51314   109.61781    70.93802
   38    37 S   HC   _H32    38     1.09648   113.03216  -163.67373
   39    37 S   HC   _H33    39     1.09403   114.74873   -39.31050
   40    33 S   NE   _N19    64     1.44846   110.66305   -60.24953
   41    40 S   H    _H45    65     1.01435   119.69376    85.29679
   42    37 S   OS   _O22    40     1.45081   103.55401    79.72000
   43    42 S   CO4  _C12    41     1.38216   109.51894    21.12076
   44    43 S   O    _O20    42     1.21819   125.18537  -175.88548
   45    33 S   CT   _C16    43     1.53096   113.72715  -179.10759
   46    45 S   HC   _H35    44     1.10355   108.85518   177.98773
   47    45 S   CT   _C15    45     1.53721   111.84918    58.54822
   48    47 S   HC   _H34    46     1.09516   109.02712   -67.72922
   49    47 S   CA   _C8_    47     1.53326   110.91537   172.50014
   50    47 S   CM   _C10    62     1.54457   108.18282    48.10774
   51    49 S   CA   _C6_    48     1.40899   119.93363   -63.14796
   52    51 S   HA   _H30    49     1.08765   120.57557    -0.24549
   53    50 S   CM   _C11    63     1.35955   122.44766   -14.13189
   54    50 S   CO4  _C13    70     1.48211   117.15100   165.13207
   55    54 S   O    _O21    71     1.22070   124.47470  -120.56146
   56    51 S   CA   _C4_    50     1.39318   121.08012  -179.64834
   57    56 S   HA   _H28    51     1.08609   120.04643   179.89721
   58    53 S   CT   _C18    66     1.50656   124.74495   178.72053
   59    58 S   HC   _H36    67     1.09573   110.36100   133.57447
   60    58 S   HC   _H37    68     1.09277   113.53838    14.24473
   61    58 S   HC   _H38    69     1.09481   109.94540  -107.24154
   62    54 S   OS   _O24    72     1.35777   107.99040    58.34619
   63    56 S   CA   _C5_    52     1.38919   119.82199     0.17246
   64    63 S   HA   _H29    53     1.08644   119.95444   179.78694
   65    62 S   CT   _C20    73     1.43365   115.42414  -177.28589
   66    65 S   HC   _H42    74     1.09464   109.86085   -56.02451
   67    65 S   HC   _H43    75     1.09545   109.25009    64.15849
   68    63 S   CA   _C7_    54     1.39553   120.14237     0.06853
   69    68 S   HA   _H31    55     1.08564   117.35803   179.40554
   70    65 S   CT   _C19    76     1.51527   108.02249  -176.22410
   71    70 S   HC   _H39    77     1.09517   110.57151   -59.26079
   72    70 S   HC   _H40    78     1.09508   110.60753    58.90869
   73    70 S   HC   _H41    79     1.09344   110.92945   179.85065
   74    49 S   CA   _C9_    56     1.41329   121.37296   117.51831
   75    74 S   OS   _O23    57     1.37136   116.25713    -0.03426
   76    75 S   CTHO _C21    58     1.41726   117.99770  -177.74120
   77    76 S   F    _F25    59     1.35798   107.26433   175.45149
   78    76 S   F    _F26    60     1.35570   109.27695   -69.48036
   79    76 S   HC   _H44    61     1.09520   113.56416    55.42489
  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  12   5   4   3
  16   2   1   1  11   5   4  13   4   5   7   3   9   4  14   6
  13  11   8   4   7   7   2   6   3   3   2   1   1   7   5   3
   6   5   4   4   2   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    43    45    46    47    53    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    45    46    47    48    49    50    53    40    41    58  
   35    36  
   36  
    0  
   38    39    42    43    44    45    46    47    53    40    41  
   39    42    43    45    40  
   42    43    45    40  
   41    58    59    60    61    54    42    43    45    46    47    50    53  
   58    45    50    53  
   43    44    45    46    47  
   44    45    46    47    48    49    50  
   45    46    47  
   46    47    48    49    51    74    50    53    54  
   47    48    49    50  
   48    49    51    52    56    68    74    75    50    53    58    54    55    62  
   49    51    74    50    53    54  
   51    52    56    57    63    68    69    74    75    76    50    53    54  
   53    58    59    60    61    54    55    62    65    51    74  
   52    56    57    63    64    68    74    75  
   56    57    63    74  
   58    59    60    61    54    55    62  
   55    62    65    66    67    70    58  
   62    65  
   57    63    64    68    69    74  
   63    64    68  
   59    60    61  
   60    61  
   61  
    0  
   65    66    67    70    71    72    73  
   64    68    69    74    75  
   68    69    74  
   66    67    70    71    72    73  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76  
   74    75  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   79   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    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    45   268.000  1.529
   33    40   382.000  1.448
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   320.000  1.410
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    50   317.000  1.510
   49    51   469.000  1.400
   49    74   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   450.000  1.364
   75    76   470.000  1.351
   76    77   455.000  1.355
   76    78   455.000  1.355
   76    79   375.000  1.089
   50    53   549.000  1.340
   50    54   320.000  1.462
   53    40   425.000  1.378
   53    58   317.000  1.510
   40    41   434.000  1.010
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   570.000  1.229
   54    62   214.000  1.327
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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  111.63000
   29    33    45    75.00000  111.63000
   29    33    40    80.00000  108.62000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    50.00000  109.50000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    40    53    50.00000  121.00000
   33    40    41    35.00000  112.50000
   37    42    43    83.00000  116.90000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    58.35000  112.70000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    70.00000  112.17500
   45    47    50    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    49    51    70.00000  120.00000
   47    49    74    70.00000  120.00000
   47    50    53    70.00000  124.00000
   47    50    54    65.00000  116.34900
   49    47    48    35.00000  109.50000
   49    51    52    35.00000  120.00000
   49    51    56    63.00000  120.00000
   49    74    68    63.00000  120.00000
   49    74    75    70.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    63    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    63    64    35.00000  120.00000
   56    63    68    63.00000  120.00000
   63    56    57    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    74    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    74    75    70.00000  120.00000
   74    49    51    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    75    76    90.00000  114.16000
   75    76    77   110.00000  110.36100
   75    76    78   110.00000  110.36100
   75    76    79    60.00000  110.43500
   78    76    77   110.00000  107.78700
   79    76    77    55.00000  109.56900
   79    76    78    55.00000  109.56900
   50    47    48    35.00000  109.50000
   50    47    49    70.00000  112.99600
   50    53    40    70.00000  124.03900
   50    53    58    70.00000  124.00000
   50    54    55    80.00000  123.72100
   50    54    62    90.00000  111.29400
   53    40    41    35.00000  114.50000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   40    33    37    80.00000  111.61500
   40    33    45    80.00000  111.61500
   58    53    40    75.00000  116.24600
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    50    53    65.00000  118.96000
   54    62    65    83.00000  116.90000
   62    54    55    83.00000  123.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    70    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.01700  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    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
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    40    53  -0.12500  1.0 1.0
   29    33    40    53  -0.12500 -1.0 2.0
   29    33    40    53   0.25000  1.0 3.0
   29    33    40    41  -0.12500  1.0 1.0
   29    33    40    41  -0.12500 -1.0 2.0
   29    33    40    41   0.25000  1.0 3.0
   33    37   -42    43  -0.25900  1.0 1.0
   33    37   -42    43  -0.47000 -1.0 2.0
   33    37   -42    43   0.11750  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49  -0.03700  1.0 1.0
   33    45    47    49   0.37200 -1.0 2.0
   33    45    47    49  -0.47300  1.0 3.0
   33    45    47    50   0.34400  1.0 1.0
   33    45    47    50   0.09450 -1.0 2.0
   33    45    47    50   0.11100  1.0 3.0
   37    33   -45    43  -0.95700  1.0 1.0
   37    33   -45    43  -0.18200 -1.0 2.0
   37    33   -45    43   0.29450  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.56750  1.0 1.0
   37    33    45    47  -0.07550 -1.0 2.0
   37    33    45    47   0.20000  1.0 3.0
   37    33    40    53   0.25450  1.0 1.0
   37    33    40    53  -0.61700 -1.0 2.0
   37    33    40    53  -0.23550  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   1.63150  1.0 1.0
   37    42   -43    45   2.92000 -1.0 2.0
   38    37    42    43   0.08050  1.0 3.0
   39    37    42    43   0.08050  1.0 3.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49   0.56750  1.0 1.0
   43    45    47    49  -0.07550 -1.0 2.0
   43    45    47    49   0.20000  1.0 3.0
   43    45    47    50  -0.98800  1.0 1.0
   43    45    47    50   0.48800 -1.0 2.0
   43    45    47    50   0.76800  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33   -37    42   0.62750  1.0 1.0
   45    33   -37    42  -0.30950 -1.0 2.0
   45    33   -37    42   0.27300  1.0 3.0
   45    33    40    53   0.25450  1.0 1.0
   45    33    40    53  -0.61700 -1.0 2.0
   45    33    40    53  -0.23550  1.0 3.0
   45    33    40    41   0.00000  1.0 1.0
   45    47    49    51   0.04150 -1.0 2.0
   45    47    49    74   0.04150 -1.0 2.0
   45    47   -50    53   0.09850  1.0 1.0
   45    47   -50    53   0.15250 -1.0 2.0
   45    47   -50    53  -0.50650  1.0 3.0
   45    47    50    54   0.09700  1.0 1.0
   45    47    50    54   0.15600 -1.0 2.0
   45    47    50    54  -0.50800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.43200  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    49    51    52   3.62500 -1.0 2.0
   47    49    51    56   3.62500 -1.0 2.0
   47    49    74    68   3.62500 -1.0 2.0
   47    49    74    75   3.62500 -1.0 2.0
   47    50    53    40   7.00000 -1.0 2.0
   47    50    53    58   7.00000 -1.0 2.0
   47    50    54    55  -0.64400  1.0 1.0
   47    50    54    55   0.26850 -1.0 2.0
   47    50    54    62  -0.15000  1.0 1.0
   47    50    54    62   0.89550 -1.0 2.0
   47    50    54    62  -0.06900  1.0 3.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    74   0.00000  1.0 1.0
   48    47    50    53   0.00000  1.0 1.0
   48    47    50    54   0.15000  1.0 3.0
   49    47    50    53   1.44450  1.0 1.0
   49    47    50    53   0.06600 -1.0 2.0
   49    47    50    53   0.29250  1.0 3.0
   49    47    50    54   0.09700  1.0 1.0
   49    47    50    54   0.15600 -1.0 2.0
   49    47    50    54  -0.50800  1.0 3.0
   49    51    56    57   3.62500 -1.0 2.0
   49    51    56    63   3.62500 -1.0 2.0
   49    74    75    76   1.11600 -1.0 2.0
   51    49    74    68   3.62500 -1.0 2.0
   51    49    74    75   3.62500 -1.0 2.0
   51    56    63    64   3.62500 -1.0 2.0
   51    56   -63    68   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    63   3.62500 -1.0 2.0
   56    63    68    69   3.62500 -1.0 2.0
   56    63    68    74   3.62500 -1.0 2.0
   57    56    63    64   3.62500 -1.0 2.0
   57    56    63    68   3.62500 -1.0 2.0
   63    68   -74    49   3.62500 -1.0 2.0
   63    68    74    75   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    74   3.62500 -1.0 2.0
   68    74    75    76   1.11600 -1.0 2.0
   69    68    74    49   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    49    51    52   3.62500 -1.0 2.0
   74    49   -51    56   3.62500 -1.0 2.0
   74    75    76    77   0.73750  1.0 1.0
   74    75    76    77  -2.02850 -1.0 2.0
   74    75    76    77   0.37850  1.0 3.0
   74    75    76    78   0.73750  1.0 1.0
   74    75    76    78  -2.02850 -1.0 2.0
   74    75    76    78   0.37850  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   50    47    49    51   0.18050 -1.0 2.0
   50    47    49    74   0.18050 -1.0 2.0
   50    53   -40    33  -0.54700  1.0 1.0
   50    53   -40    33   1.23000 -1.0 2.0
   50    53    40    41   1.00000 -1.0 2.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    60   0.00000  1.0 1.0
   50    53    58    61   0.00000  1.0 1.0
   50    54    62    65   2.00000 -1.0 2.0
   53    50    54    55   1.00000 -1.0 2.0
   53    50    54    62  -0.56150  1.0 1.0
   53    50    54    62   2.19150 -1.0 2.0
   40    33    37    38   0.22950  1.0 3.0
   40    33    37    39   0.22950  1.0 3.0
   40    33    37    42   2.03850  1.0 1.0
   40    33    37    42  -0.40600 -1.0 2.0
   40    33    45    43  -2.10200  1.0 1.0
   40    33    45    43  -0.31600 -1.0 2.0
   40    33    45    43   0.13050  1.0 3.0
   40    33    45    46   0.22950  1.0 3.0
   40    33   -45    47   1.26750  1.0 1.0
   40    33   -45    47  -0.00950 -1.0 2.0
   40    33   -45    47   0.30600  1.0 3.0
   40    53    58    59  -0.18050  1.0 3.0
   40    53    58    60  -0.18050  1.0 3.0
   40    53    58    61  -0.18050  1.0 3.0
   58    53    40    33   1.00000 -1.0 2.0
   58    53    40    41   2.40850 -1.0 2.0
   54    50    53    40   7.00000 -1.0 2.0
   54    50    53    58   7.00000 -1.0 2.0
   54    62    65    66   0.08050  1.0 3.0
   54    62    65    67   0.08050  1.0 3.0
   54    62    65    70  -0.25900  1.0 1.0
   54    62    65    70  -0.47000 -1.0 2.0
   54    62    65    70   0.11750  1.0 3.0
   55    54    62    65   3.00000 -1.0 2.0
   62    65    70    71   0.23400  1.0 3.0
   62    65    70    72   0.23400  1.0 3.0
   62    65    70    73   0.23400  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   51    74    49    47   4.00000 -1.0 2.0
   56    52    51    49   1.10000 -1.0 2.0
   63    57    56    51   1.10000 -1.0 2.0
   68    64    63    56   1.10000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   68    75    74    49   4.00000 -1.0 2.0
   47    54    50    53   1.10000 -1.0 2.0
   58    40    53    50   1.10000 -1.0 2.0
   41    53    40    33   1.00000 -1.0 2.0
   50    62    54    55  10.50000 -1.0 2.0
END
