* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    164    264     482
    1     0 S   NP   _N1_     1    28.74287    96.33681   -22.42786
    2     1 S   H    _HN1     2     1.02828    37.69509   152.04128
    3     1 S   H    _H1_     3     1.02788   101.18212  -103.11894
    4     1 S   H    _H2_     4     1.02949    74.52074     3.04812
    5     1 S   CT   _CA1     5     1.50115   141.61401   106.53603
    6     5 S   HC   _HA1     6     1.09573   105.18953    87.07579
    7     5 S   CO3  _C1_     7     1.53783   112.42986   -33.15517
    8     7 S   O2Z  _O11     8     1.26373   115.00698   -43.33440
    9     7 S   O2Z  _O12     9     1.26236   114.93821   135.74003
   10     5 S   CT   _CB1    10     1.53073   107.41347  -154.96047
   11    10 S   HC   HB11    11     1.09835   109.36405   -49.67704
   12    10 S   HC   HB12    12     1.09812   110.46065    66.92648
   13    10 S   CT   _CG1    13     1.52995   112.61077  -170.64039
   14    13 S   HC   HG11    14     1.09583   110.65224   -65.86736
   15    13 S   HC   HG12    15     1.09670   109.77315    53.36725
   16    13 S   C    _CD1    16     1.51808   112.16533   173.82175
   17    16 S   O    _OE1    17     1.22740   123.26527     7.88819
   18    16 S   N    _N2_    18     1.38622   111.69823  -172.16724
   19    18 S   H    _HN2    19     1.01587   118.99115     1.51569
   20    18 S   CT1  _CA2    20     1.46229   123.45363   177.76122
   21    20 S   HC   _HA2    21     1.09730   109.33614     5.01149
   22    20 S   C    _C2_    22     1.53608   108.91308  -110.64931
   23    22 S   O    _O2_    23     1.23080   122.24434  -149.64177
   24    20 S   CT   _CB2    32     1.53292   111.44108   127.02099
   25    24 S   HC   HB21    33     1.09438   109.42004    56.33186
   26    24 S   HC   HB22    34     1.09484   110.18310   175.58119
   27    22 S   N    _N3_    24     1.38310   113.82365    37.87199
   28    27 S   H    _HN3    25     1.01563   119.58196    -3.44890
   29    24 S   S    _SG2    35     1.82578   111.49812   -64.43725
   30    27 S   CT   _CA3    26     1.45278   123.23679   177.15469
   31    30 S   HC   HA31    27     1.09548   107.51031   -64.75281
   32    30 S   HC   HA32    28     1.09556   107.99399    51.69593
   33    29 S   CT   _C22    36     1.86565   100.21826  -175.61747
   34    33 S   HC   _H4_    37     1.09318   105.52472    48.90097
   35    30 S   CO3  _C3_    29     1.52962   114.06086   173.69230
   36    35 S   O2Z  _O31    30     1.26378   116.06860    -0.60361
   37    35 S   O2Z  _O32    31     1.26425   114.41397   179.46186
   38    33 S   CM   _C19    38     1.55160   107.88716   -70.61292
   39    38 S   NA   _N5_    39     1.42886   113.17590   -77.48631
   40    38 S   CMA  _C20    78     1.37391   120.94072   109.03440
   41    40 S   OM   _O33    79     1.26864   126.54866   168.69871
   42    39 S   C56A _C18    40     1.40582   132.01702   156.14925
   43    39 S   CR3  _C11    51     1.38139   122.11414   -24.08534
   44    40 S   OS   _O34    80     1.42193   111.49257    -7.00107
   45    42 S   CA   _C17    41     1.40816   131.66525   -14.21617
   46    45 S   HA   _H19    42     1.08493   121.53836    -3.19500
   47    43 S   CT   _C10    52     1.49750   125.08684     9.99491
   48    47 S   HC   _H3_    53     1.10016   105.44195    97.40523
   49    44 S   CT   _C21    81     1.42766   114.75368  -146.78725
   50    49 S   HC   _H20    82     1.09402   107.71254   170.51794
   51    49 S   HC   _H21    83     1.09532   111.20545    52.37572
   52    49 S   HC   _H22    84     1.09470   110.95997   -71.57552
   53    45 S   CA   _C16    43     1.39834   119.03064   177.27595
   54    53 S   HA   _H18    44     1.08692   119.34922  -179.05333
   55    33 S   CT   _C6_    54     1.58305   113.32458   164.76973
   56    53 S   CA   _C15    45     1.38870   120.93005     0.98794
   57    56 S   HA   _H17    46     1.08640   119.90228  -179.81443
   58    55 S   CT   _C7_    55     1.56051   109.29330  -175.30122
   59    58 S   HC   _H10    56     1.09505   111.04637    66.94631
   60    58 S   HC   _H11    57     1.09651   110.77802   -49.71827
   61    55 S   CT   _C5_    71     1.57237   111.94341   -53.59456
   62    61 S   HC   _H8_    72     1.09664   109.99522    64.10478
   63    61 S   HC   _H9_    73     1.09619   110.16196   178.64549
   64    56 S   CA   _C14    47     1.39621   120.36146     1.77652
   65    64 S   HA   _H16    48     1.08643   119.79860   177.28416
   66    58 S   CT   _C8_    58     1.52711   112.48198  -169.58777
   67    66 S   HC   _H12    59     1.09658   109.18144   175.29497
   68    66 S   HC   _H13    60     1.09556   110.68406   -68.14712
   69    61 S   CT   _C4_    74     1.52486   116.20963   -58.70622
   70    69 S   HC   _H5_    75     1.09290   111.89361   -62.15961
   71    69 S   HC   _H6_    76     1.09545   109.53147   179.15582
   72    69 S   HC   _H7_    77     1.09290   112.05918    60.29953
   73    42 S   C56B _C13    49     1.40639   108.06988   167.69904
   74    66 S   CT   _C9_    61     1.52749   111.19562    54.76310
   75    74 S   HC   _H14    62     1.09678   108.65197    68.37287
   76    74 S   HC   _H15    63     1.09678   108.09410  -176.17111
   77    73 S   C5B  _C12    50     1.41196   107.03559     6.06908
   78    47 S   NT   _N4_    64     1.48767   110.65299  -148.96736
   79    78 S   CT   _C24    65     1.48534   110.44348   -50.15503
   80    79 S   HC   _H25    66     1.09875   107.49436   -63.15205
   81    79 S   HC   _H26    67     1.09713   110.09817  -177.12036
   82    77 S   CT   _C23    68     1.49021   131.56432  -178.19333
   83    82 S   HC   _H23    69     1.09570   110.45391   -48.11166
   84    82 S   HC   _H24    70     1.09678   108.53221    69.53807
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  20   7   2   1   1  14  16   9   2  12  15   4   8   4  20   7
   3   2   1   1   6   3  17   5   3  13   6   5   8   5   4   4
   2   7   5   4   3   2   1   1   5   7   3   2   7   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    58    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    48    55    58    59    60    66    78    61    62    63    69    40    41    44  
   38    39    47    55    58    61    40  
   36    37  
   37  
    0  
   39    42    45    73    77    43    47    55    58    61    40    41    44    49  
   42    45    46    53    64    73    77    43    47    48    55    78    82    40    41    44  
   41    44    49    50    51    52    42    43    55  
   44    49  
   45    46    53    54    56    64    65    73    77    43    47    82  
   47    48    55    58    74    78    79    82    83    84    61    45    64    73    77  
   49    50    51    52  
   46    53    54    56    57    64    73    77  
   53    54    56    73  
   48    55    58    59    60    66    74    75    76    78    79    80    81    82    61    62    63    69    73    77  
   55    58    74    78    79    61    77  
   50    51    52  
   51    52  
   52  
    0  
   54    56    57    64    65    73  
   56    57    64  
   58    59    60    66    67    68    74    78    79    61    62    63    69    70    71    72    77  
   57    64    65    73    77  
   64    65    73  
   59    60    66    67    68    74    75    76    78    61    62    63    69  
   60    66    67    68    74    61  
   66    67    68    74    61  
   62    63    69    70    71    72    66    78  
   63    69    70    71    72  
   69    70    71    72  
   65    73    77    82  
   73    77  
   67    68    74    75    76    78    79  
   68    74    75    76    78  
   74    75    76    78  
   70    71    72  
   71    72  
   72  
    0  
   77    79    82    83    84  
   75    76    78    79    80    81    82  
   76    78    79  
   78    79  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   370.000  1.395
   38    40   465.000  1.376
   39    42   428.000  1.380
   39    43   483.000  1.339
   42    45   469.000  1.400
   42    73   447.000  1.419
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    73   469.000  1.404
   73    77   380.000  1.440
   77    43   400.000  1.418
   77    82   295.000  1.494
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    78   382.000  1.448
   55    58   268.000  1.529
   55    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   382.000  1.448
   78    79   382.000  1.448
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  115.00000
   33    38    40    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    58    58.35000  112.70000
   33    55    61    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    42    65.00000  124.26000
   38    39    43    70.00000  114.00000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   39    42    45    70.00000  132.80000
   39    42    73    70.00000  104.40000
   39    43    77    75.00000  118.00000
   39    43    47    75.00000  115.74700
   42    45    46    35.00000  120.00000
   42    45    53    85.00000  120.00000
   42    73    64    85.00000  116.20000
   42    73    77    80.00000  107.43600
   45    53    54    35.00000  120.00000
   45    53    56    63.00000  120.00000
   53    45    46    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    64    65    35.00000  120.00000
   56    64    73    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    73    77    50.00000  134.85500
   73    42    45    85.00000  122.70000
   73    64    65    35.00000  120.00000
   73    77    43    75.00000  116.72000
   73    77    82    55.00000  128.73000
   77    43    47    70.00000  120.00000
   77    82    79    70.00000  112.62400
   77    82    83    45.00000  111.11700
   77    82    84    45.00000  111.11700
   43    39    42    70.00000  114.00000
   43    47    48    35.00000  109.50000
   43    47    55    70.00000  112.17500
   43    47    78    75.00000  112.33000
   47    55    58    58.35000  112.70000
   47    55    61    58.35000  112.70000
   47    78    74    51.80000  107.20000
   47    78    79    51.80000  107.20000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    66    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    69    58.35000  112.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    78    56.20000  109.47000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    78    79    51.80000  107.20000
   76    74    75    33.00000  107.80000
   78    47    48    35.00000  109.50000
   78    47    55    56.20000  109.47000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    56.20000  109.47000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    77    43    80.00000  105.07000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   61    55    58    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    75.00000  115.90000
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    58   0.44750  1.0 1.0
   29    33    55    58  -0.17800 -1.0 2.0
   29    33    55    58   0.20200  1.0 3.0
   29    33    55    61   0.44750  1.0 1.0
   29    33    55    61  -0.17800 -1.0 2.0
   29    33    55    61   0.20200  1.0 3.0
   33    38    39    42   1.50000 -1.0 2.0
   33    38    39    43   1.50000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    55    58    59   0.15000  1.0 3.0
   33    55    58    60   0.15000  1.0 3.0
   33    55    58    66   0.56750  1.0 1.0
   33    55    58    66  -0.07550 -1.0 2.0
   33    55    58    66   0.20000  1.0 3.0
   33    55    61    62   0.15000  1.0 3.0
   33    55    61    63   0.15000  1.0 3.0
   33    55    61    69   0.56750  1.0 1.0
   33    55    61    69  -0.07550 -1.0 2.0
   33    55    61    69   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    58   0.15000  1.0 3.0
   34    33    55    61   0.15000  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    58   0.34400  1.0 1.0
   38    33    55    58   0.09450 -1.0 2.0
   38    33    55    58   0.11100  1.0 3.0
   38    33    55    61   0.34400  1.0 1.0
   38    33    55    61   0.09450 -1.0 2.0
   38    33    55    61   0.11100  1.0 3.0
   38    39    42    45   3.62500 -1.0 2.0
   38    39    42    73   3.62500 -1.0 2.0
   38    39    43    77   3.62500 -1.0 2.0
   38    39   -43    47   3.62500 -1.0 2.0
   38    40    44    49  -2.26850  1.0 1.0
   38    40    44    49   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    53   3.62500 -1.0 2.0
   39    42    73    64   3.00000 -1.0 2.0
   39    42   -73    77   3.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43    47    55   0.39850  1.0 1.0
   39    43    47    55   0.06450 -1.0 2.0
   39    43    47    55   0.32400  1.0 3.0
   39    43    47    78   0.04300 -1.0 2.0
   42    39   -43    77   3.62500 -1.0 2.0
   42    39    43    47   3.62500 -1.0 2.0
   42    45    53    54   3.62500 -1.0 2.0
   42    45    53    56   3.62500 -1.0 2.0
   42    73   -77    43   3.50000 -1.0 2.0
   42    73    77    82   3.62500 -1.0 2.0
   45    42    73    64   3.00000 -1.0 2.0
   45    42    73    77   3.00000 -1.0 2.0
   45    53    56    57   3.62500 -1.0 2.0
   45    53   -56    64   3.62500 -1.0 2.0
   46    45    53    54   3.62500 -1.0 2.0
   46    45    53    56   3.62500 -1.0 2.0
   53    56    64    65   3.62500 -1.0 2.0
   53    56    64    73   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    64   3.62500 -1.0 2.0
   56    64   -73    42   3.50000 -1.0 2.0
   56    64    73    77   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    73   3.62500 -1.0 2.0
   64    73    77    43   3.62500 -1.0 2.0
   64    73    77    82   3.62500 -1.0 2.0
   65    64    73    42   3.50000 -1.0 2.0
   65    64    73    77   3.62500 -1.0 2.0
   73    42    45    46   3.62500 -1.0 2.0
   73    42   -45    53   3.62500 -1.0 2.0
   73    77   -43    39   3.62500 -1.0 2.0
   73    77    43    47   3.62500 -1.0 2.0
   73    77    82    79   0.04150 -1.0 2.0
   73    77    82    83   0.00000  1.0 1.0
   73    77    82    84   0.00000  1.0 1.0
   77    43    47    48   0.00000  1.0 1.0
   77    43    47    55   0.04150 -1.0 2.0
   77    43    47    78   0.18550 -1.0 2.0
   77    43    47    78   0.14000  1.0 3.0
   43    39    42    45   3.62500 -1.0 2.0
   43    39   -42    73   3.62500 -1.0 2.0
   43    77    82    79   0.04150 -1.0 2.0
   43    77    82    83   0.00000  1.0 1.0
   43    77    82    84   0.00000  1.0 1.0
   43    47   -55    33  -0.03700  1.0 1.0
   43    47   -55    33   0.37200 -1.0 2.0
   43    47   -55    33  -0.47300  1.0 3.0
   43    47    55    58  -0.03700  1.0 1.0
   43    47    55    58   0.37200 -1.0 2.0
   43    47    55    58  -0.47300  1.0 3.0
   43    47    55    61  -0.03700  1.0 1.0
   43    47    55    61   0.37200 -1.0 2.0
   43    47    55    61  -0.47300  1.0 3.0
   43    47    78    74   0.82600  1.0 1.0
   43    47    78    74  -0.32100 -1.0 2.0
   43    47    78    74   1.02000  1.0 3.0
   43    47   -78    79   0.82600  1.0 1.0
   43    47   -78    79  -0.32100 -1.0 2.0
   43    47   -78    79   1.02000  1.0 3.0
   47    55    58    59   0.15000  1.0 3.0
   47    55    58    60   0.15000  1.0 3.0
   47    55    58    66   0.56750  1.0 1.0
   47    55    58    66  -0.07550 -1.0 2.0
   47    55    58    66   0.20000  1.0 3.0
   47    55    61    62   0.15000  1.0 3.0
   47    55    61    63   0.15000  1.0 3.0
   47    55    61    69   0.56750  1.0 1.0
   47    55    61    69  -0.07550 -1.0 2.0
   47    55    61    69   0.20000  1.0 3.0
   47    78    79    80   0.28000  1.0 3.0
   47    78    79    81   0.28000  1.0 3.0
   47    78    79    82   0.23450  1.0 1.0
   47    78    79    82   0.02050 -1.0 2.0
   47    78    79    82   0.25250  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    55    61   0.15000  1.0 3.0
   48    47    78    74   0.28000  1.0 3.0
   48    47    78    79   0.28000  1.0 3.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    40   0.09850  1.0 1.0
   55    33    38    40   0.15250 -1.0 2.0
   55    33    38    40  -0.50650  1.0 3.0
   55    47    78    74   0.23450  1.0 1.0
   55    47    78    74   0.02050 -1.0 2.0
   55    47    78    74   0.25250  1.0 3.0
   55    47    78    79   0.23450  1.0 1.0
   55    47    78    79   0.02050 -1.0 2.0
   55    47    78    79   0.25250  1.0 3.0
   55    58    66    67   0.15000  1.0 3.0
   55    58    66    68   0.15000  1.0 3.0
   55    58   -66    74   0.56750  1.0 1.0
   55    58   -66    74  -0.07550 -1.0 2.0
   55    58   -66    74   0.20000  1.0 3.0
   55    61    69    70   0.15000  1.0 3.0
   55    61    69    71   0.15000  1.0 3.0
   55    61    69    72   0.15000  1.0 3.0
   58    55    61    62   0.15000  1.0 3.0
   58    55    61    63   0.15000  1.0 3.0
   58    55    61    69   0.56750  1.0 1.0
   58    55    61    69  -0.07550 -1.0 2.0
   58    55    61    69   0.20000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    78   1.53400  1.0 1.0
   58    66    74    78  -0.09950 -1.0 2.0
   58    66    74    78   0.05700  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    74   0.15000  1.0 3.0
   66    74   -78    47   0.23450  1.0 1.0
   66    74   -78    47   0.02050 -1.0 2.0
   66    74   -78    47   0.25250  1.0 3.0
   66    74    78    79   0.23450  1.0 1.0
   66    74    78    79   0.02050 -1.0 2.0
   66    74    78    79   0.25250  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    78   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    78   0.15000  1.0 3.0
   74    78    79    80   0.28000  1.0 3.0
   74    78    79    81   0.28000  1.0 3.0
   74    78    79    82   0.23450  1.0 1.0
   74    78    79    82   0.02050 -1.0 2.0
   74    78    79    82   0.25250  1.0 3.0
   75    74    78    47   0.28000  1.0 3.0
   75    74    78    79   0.28000  1.0 3.0
   76    74    78    47   0.28000  1.0 3.0
   76    74    78    79   0.28000  1.0 3.0
   78    47    55    33   1.53400  1.0 1.0
   78    47    55    33  -0.09950 -1.0 2.0
   78    47    55    33   0.05700  1.0 3.0
   78    47   -55    58   1.53400  1.0 1.0
   78    47   -55    58  -0.09950 -1.0 2.0
   78    47   -55    58   0.05700  1.0 3.0
   78    47    55    61   1.53400  1.0 1.0
   78    47    55    61  -0.09950 -1.0 2.0
   78    47    55    61   0.05700  1.0 3.0
   78    79   -82    77   0.83750  1.0 1.0
   78    79   -82    77   0.32200 -1.0 2.0
   78    79   -82    77   0.70600  1.0 3.0
   78    79    82    83   0.15000  1.0 3.0
   78    79    82    84   0.15000  1.0 3.0
   80    79    82    77   0.43200  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   81    79    82    77   0.43200  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   82    77    43    39   3.62500 -1.0 2.0
   82    77   -43    47   3.62500 -1.0 2.0
   61    55    58    59   0.15000  1.0 3.0
   61    55    58    60   0.15000  1.0 3.0
   61    55    58    66   0.56750  1.0 1.0
   61    55    58    66  -0.07550 -1.0 2.0
   61    55    58    66   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    72   0.15000  1.0 3.0
   40    38    39    42   1.50000 -1.0 2.0
   40    38    39    43   1.50000 -1.0 2.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51   0.08050  1.0 3.0
   40    44    49    52   0.08050  1.0 3.0
   41    40    44    49   2.00000 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    43    39    38   4.00000 -1.0 2.0
   45    73    42    39   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   73    65    64    56   1.10000 -1.0 2.0
   64    77    73    42   4.00000 -1.0 2.0
   43    82    77    73   4.00000 -1.0 2.0
   77    47    43    39   4.00000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
