* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    138    198     402
    1     0 S   NP   _N1_     1    29.34788    92.46286   -24.76812
    2     1 S   H    _HN1     2     1.03502    93.76727    33.71628
    3     1 S   H    _H1_     3     1.02747    13.34470  -149.87706
    4     1 S   H    _H2_     4     1.02730   112.80641   -76.92554
    5     1 S   CT   _CA1     5     1.50290   118.19800   149.38727
    6     5 S   HC   _HA1     6     1.09590   104.93860    79.36346
    7     5 S   CO3  _C1_     7     1.53906   113.07311   -39.72275
    8     7 S   O2Z  _O11     8     1.26359   115.34457   -26.68019
    9     7 S   O2Z  _O12     9     1.26308   114.94385   151.90805
   10     5 S   CT   _CB1    10     1.53024   106.78664  -163.10564
   11    10 S   HC   HB11    11     1.09829   108.83053   -48.09053
   12    10 S   HC   HB12    12     1.09785   110.22604    68.08049
   13    10 S   CT   _CG1    13     1.52953   113.79180  -169.72140
   14    13 S   HC   HG11    14     1.09557   110.28993   -68.02502
   15    13 S   HC   HG12    15     1.09617   110.35859    51.57839
   16    13 S   C    _CD1    16     1.51887   111.68571   171.32710
   17    16 S   O    _OE1    17     1.22808   123.09109   -12.13125
   18    16 S   N    _N2_    18     1.38628   112.11887   168.88548
   19    18 S   H    _HN2    19     1.01574   119.30910     0.24945
   20    18 S   CT1  _CA2    20     1.46171   122.80203   179.90309
   21    20 S   HC   _HA2    21     1.09756   109.09179    -9.98058
   22    20 S   C    _C2_    22     1.53412   108.66473  -125.28925
   23    22 S   O    _O2_    23     1.23039   122.43062  -149.14145
   24    20 S   CT   _CB2    32     1.53498   112.31633   111.55171
   25    24 S   HC   HB21    33     1.09579   110.13253    61.17478
   26    24 S   HC   HB22    34     1.09457   109.14495   179.66254
   27    22 S   N    _N3_    24     1.38406   113.51154    38.51548
   28    27 S   H    _HN3    25     1.01649   119.44890    -3.92136
   29    24 S   S    _SG2    35     1.83325   111.62299   -59.24244
   30    27 S   CT   _CA3    26     1.45280   123.03520   176.78417
   31    30 S   HC   HA31    27     1.09557   107.57978   -62.20116
   32    30 S   HC   HA32    28     1.09562   107.86358    54.16363
   33    29 S   CT   _C5_    36     1.89603   101.49733  -159.64556
   34    33 S   OM   _O33    37     1.31898   108.48965   -56.78830
   35    30 S   CO3  _C3_    29     1.52908   114.22588   176.12581
   36    35 S   O2Z  _O31    30     1.26351   116.08271    -0.23407
   37    35 S   O2Z  _O32    31     1.26436   114.39867   179.80218
   38    33 S   NT   _N4_    38     1.49078   108.86276    64.41088
   39    33 S   S    _S1_    45     1.89190   105.47754  -174.60435
   40    38 S   CT   _C4_    39     1.46197   116.32468   178.08766
   41    40 S   HC   _H3_    40     1.09622   109.42769   178.82680
   42    40 S   HC   _H4_    41     1.09497   111.62759    61.61742
   43    40 S   HC   _H5_    42     1.09487   113.23937   -61.35865
   44    38 S   OH   _O40    43     1.45622   108.10859    61.23599
   45    44 S   HO   _H21    44     0.97245    99.50638  -109.81379
   46    39 S   CT   _C6_    46     1.83752   102.22433    74.14141
   47    46 S   HC   _H6_    47     1.09495   107.69086    75.40454
   48    46 S   HC   _H7_    48     1.09401   109.55343   -41.97496
   49    46 S   CT1  _C7_    49     1.53568   112.89580  -163.52926
   50    49 S   HC   _H8_    50     1.09827   107.94754  -176.92687
   51    49 S   C    _C8_    51     1.53033   113.39900   -58.30012
   52    51 S   O    _O34    52     1.23016   122.81373   110.47805
   53    49 S   N    _N6_    61     1.45898   112.55523    65.61429
   54    53 S   H    _H12    62     1.01622   117.76036   -99.64832
   55    51 S   N    _N5_    53     1.38444   112.83250   -69.25401
   56    55 S   H    _H9_    54     1.01635   120.38506    -0.46394
   57    53 S   C    _C11    63     1.38535   122.57902    79.79271
   58    57 S   O    _O37    64     1.22795   124.64480    -2.23703
   59    55 S   CT   _C9_    55     1.45340   122.42329   179.31987
   60    59 S   HC   _H10    56     1.09568   107.51762   -61.86730
   61    59 S   HC   _H11    57     1.09568   107.88779    54.44177
   62    57 S   CT   _C12    65     1.52001   112.13466   177.15256
   63    62 S   HC   _H13    66     1.09567   108.10655    65.64946
   64    62 S   HC   _H14    67     1.09528   107.50807   -50.90282
   65    59 S   CO3  _C10    58     1.52879   114.40054   176.37950
   66    65 S   O2Z  _O36    59     1.26329   116.11511    -1.95995
   67    65 S   O2Z  _O35    60     1.26454   114.39481   178.16400
   68    62 S   CT   _C13    68     1.53228   111.72913  -172.62932
   69    68 S   HC   _H15    69     1.09844   109.12931    49.63973
   70    68 S   HC   _H16    70     1.09735   108.20756   -65.08284
   71    68 S   CT   _C14    71     1.53159   115.65972   172.09411
   72    71 S   HC   _H17    72     1.09674   108.73450  -174.12093
   73    71 S   CO3  _C15    73     1.53536   111.38264    66.76631
   74    73 S   O2Z  _O39    74     1.26340   115.03553    85.19654
   75    73 S   O2Z  _O38    75     1.26352   115.07224   -96.00868
   76    71 S   NP   _N7_    76     1.49733   109.60322   -60.32046
   77    76 S   H    _H18    77     1.02906   110.73944    73.31902
   78    76 S   H    _H19    78     1.02776   112.30406   -48.30030
   79    76 S   H    _H20    79     1.02834   110.55180  -168.81480
  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   7   5   4   3
  13   5   2   1   1   8   9   5   3   2   1   1   1  10   5   4
  11   6  10   4   8   3   7   4   8   4   5   4   3   9   5   4
   2   1   1  11   5   4   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    44    39    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    44    45    39    46    47    48    49  
   38    40    44    39    46  
   36    37  
   37  
    0  
   40    41    42    43    44    45    39    46  
   46    47    48    49    50    51    53    40    44  
   41    42    43    44    45  
   42    43    44  
   43    44  
   44  
   45  
    0  
   47    48    49    50    51    52    55    53    54    57  
   48    49    50    51    53  
   49    50    51    53  
   50    51    52    55    56    59    53    54    57    58    62  
   51    52    55    53    54    57  
   52    55    56    59    60    61    65    53    54    57  
   55    56    59    53  
   54    57    58    62    63    64    68    55  
   57    58    62  
   56    59    60    61    65    66    67  
   59    60    61    65  
   58    62    63    64    68    69    70    71  
   62    63    64    68  
   60    61    65    66    67  
   61    65    66    67  
   65    66    67  
   63    64    68    69    70    71    72    73    76  
   64    68    69    70    71  
   68    69    70    71  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    73    76  
   71    72    73    76  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76  
   76  
   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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.3000   0.1700  -0.288200   1.9050   1.6860   0.051222218  -2.220205820
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5000   0.0660   0.028100   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.493100   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   74   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   77   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   382.000  1.448
   33    39   222.000  1.810
   38    40   382.000  1.448
   38    44   270.000  1.440
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   553.000  0.945
   39    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   337.000  1.449
   51    52   570.000  1.229
   51    55   490.000  1.335
   55    56   434.000  1.010
   55    59   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   53    54   434.000  1.010
   53    57   490.000  1.335
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   317.000  1.522
   71    76   367.000  1.471
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   434.000  1.010
   76    78   434.000  1.010
   76    79   434.000  1.010
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    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    39    75.00000  118.28000
   33    38    40    51.80000  107.20000
   33    38    44   110.00000  104.48500
   33    39    46    62.00000   98.90000
   38    33    34   110.00000  105.70000
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    43    35.00000  109.50000
   38    44    45    75.00000  101.59700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    38    40   110.00000  104.48500
   39    33    34    85.00000  114.68000
   39    33    38    85.00000  109.00000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   39    46    49    75.00000  108.68000
   46    49    50    37.50000  110.70000
   46    49    51    63.00000  111.10000
   46    49    53    80.00000  109.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    80.00000  120.40000
   49    51    55    70.00000  116.60000
   49    53    54    38.00000  118.40000
   49    53    57    50.00000  121.90000
   51    49    50    35.00000  109.50000
   51    55    56    35.00000  119.80000
   51    55    59    50.00000  121.90000
   55    51    52    80.00000  122.90000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    65    63.00000  110.10000
   59    55    56    38.00000  118.40000
   59    65    66    70.00000  117.00000
   59    65    67    70.00000  117.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   67    65    66    80.00000  126.00000
   53    49    50    35.00000  109.50000
   53    49    51    63.00000  110.10000
   53    57    58    80.00000  122.90000
   53    57    62    70.00000  116.60000
   57    53    54    35.00000  119.80000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    63.00000  111.10000
   62    57    58    80.00000  120.40000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    70.00000  109.69300
   68    71    76    80.00000  111.20000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    70.00000  117.00000
   71    73    75    70.00000  117.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   73    71    72    35.00000  109.50000
   75    73    74    80.00000  126.00000
   76    71    72    35.00000  109.50000
   76    71    73    80.00000  109.26000
   78    76    77    35.00000  109.50000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.23200  1.0 1.0
   29    33    38    40   0.02100 -1.0 2.0
   29    33    38    40   0.24950  1.0 3.0
   29    33    38    44   0.23200  1.0 1.0
   29    33    38    44   0.02100 -1.0 2.0
   29    33    38    44   0.24950  1.0 3.0
   29    33    39    46   0.08500  1.0 1.0
   29    33    39    46  -0.53150 -1.0 2.0
   29    33    39    46   0.48050  1.0 3.0
   33    38    40    41   0.28000  1.0 3.0
   33    38    40    42   0.28000  1.0 3.0
   33    38    40    43   0.28000  1.0 3.0
   33    38    44    45  -0.45100  1.0 1.0
   33    38    44    45  -2.35050 -1.0 2.0
   33    38    44    45   0.34450  1.0 3.0
   33    39    46    47   0.32350  1.0 3.0
   33    39    46    48   0.32350  1.0 3.0
   33    39    46    49   0.01700  1.0 1.0
   33    39    46    49  -0.23550 -1.0 2.0
   33    39    46    49   0.21350  1.0 3.0
   34    33    38    40   0.23200  1.0 1.0
   34    33    38    40   0.02100 -1.0 2.0
   34    33    38    40   0.24950  1.0 3.0
   34    33    38    44   0.23200  1.0 1.0
   34    33    38    44   0.02100 -1.0 2.0
   34    33    38    44   0.24950  1.0 3.0
   34    33    39    46   0.13850  1.0 1.0
   34    33    39    46  -1.34450 -1.0 2.0
   34    33    39    46   0.57400  1.0 3.0
   38    33    39    46   0.01700  1.0 1.0
   38    33    39    46  -0.23550 -1.0 2.0
   38    33    39    46   0.21350  1.0 3.0
   40    38    44    45  -0.45100  1.0 1.0
   40    38    44    45  -2.35050 -1.0 2.0
   40    38    44    45   0.34450  1.0 3.0
   44    38    40    41   0.28100  1.0 3.0
   44    38    40    42   0.28100  1.0 3.0
   44    38    40    43   0.28100  1.0 3.0
   39    33    38    40   0.23200  1.0 1.0
   39    33    38    40   0.02100 -1.0 2.0
   39    33    38    40   0.24950  1.0 3.0
   39    33    38    44   0.23200  1.0 1.0
   39    33    38    44   0.02100 -1.0 2.0
   39    33    38    44   0.24950  1.0 3.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51  -2.17200  1.0 1.0
   39    46    49    51  -0.85700 -1.0 2.0
   39    46    49    53   0.71400  1.0 1.0
   39    46    49    53   0.04300 -1.0 2.0
   39    46    49    53   0.01450  1.0 3.0
   46    49    51    52   0.00000  1.0 1.0
   46    49    51    55   0.93250  1.0 1.0
   46    49    51    55   0.04450 -1.0 2.0
   46    49    51    55   0.17550  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    57   0.25950  1.0 1.0
   46    49    53    57   0.43850 -1.0 2.0
   46    49    53    57   2.61650  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51  -0.03800  1.0 3.0
   47    46    49    53   0.23200  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51  -0.03800  1.0 3.0
   48    46    49    53   0.23200  1.0 3.0
   49    51    55    56   2.45000 -1.0 2.0
   49    51    55    59   1.15000  1.0 1.0
   49    51    55    59   3.04450 -1.0 2.0
   49    53    57    58   3.04450 -1.0 2.0
   49    53    57    62   1.15000  1.0 1.0
   49    53    57    62   3.04450 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    57  -0.29800  1.0 1.0
   51    49    53    57   0.13950 -1.0 2.0
   51    49    53    57  -2.45650  1.0 3.0
   51    55    59    60   0.00000  1.0 1.0
   51    55    59    61   0.00000  1.0 1.0
   51    55    59    65  -0.29800  1.0 1.0
   51    55    59    65   0.13950 -1.0 2.0
   51    55    59    65  -2.45650  1.0 3.0
   52    51    55    56   2.45000 -1.0 2.0
   52    51    55    59   3.04450 -1.0 2.0
   55    59    65    66   0.00000  1.0 1.0
   55    59    65    67   0.00000  1.0 1.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    65   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    67   0.00000  1.0 1.0
   53    49    51    52   0.00000  1.0 1.0
   53    49    51    55   0.37150  1.0 1.0
   53    49    51    55   1.25400 -1.0 2.0
   53    49    51    55  -0.40250  1.0 3.0
   53    57    62    63   0.00000  1.0 1.0
   53    57    62    64   0.00000  1.0 1.0
   53    57    62    68   1.39750  1.0 1.0
   53    57    62    68  -0.07950 -1.0 2.0
   53    57    62    68  -0.18750  1.0 3.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    62   2.45000 -1.0 2.0
   57    62    68    69  -0.11250  1.0 3.0
   57    62    68    70  -0.11250  1.0 3.0
   57    62    68    71  -0.95700  1.0 1.0
   57    62    68    71  -0.18200 -1.0 2.0
   57    62    68    71   0.29450  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   58    57    62    68   0.30150 -1.0 2.0
   62    68    71    72   0.15000  1.0 3.0
   62    68    71    73  -1.63150  1.0 1.0
   62    68    71    73  -0.43550 -1.0 2.0
   62    68    71    73   0.24500  1.0 3.0
   62    68    71    76   1.36600  1.0 1.0
   62    68    71    76  -0.11450 -1.0 2.0
   62    68    71    76   0.24250  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   68    71    73    74   0.41150 -1.0 2.0
   68    71    73    75   0.41150 -1.0 2.0
   68    71    76    77   0.17350  1.0 3.0
   68    71    76    78   0.17350  1.0 3.0
   68    71    76    79   0.17350  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73  -0.11250  1.0 3.0
   69    68    71    76   0.19200  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73  -0.11250  1.0 3.0
   70    68    71    76   0.19200  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    76    77   0.13050  1.0 3.0
   72    71    76    78   0.13050  1.0 3.0
   72    71    76    79   0.13050  1.0 3.0
   73    71    76    77   0.17350  1.0 3.0
   73    71    76    78   0.17350  1.0 3.0
   73    71    76    79   0.17350  1.0 3.0
   76    71    73    74   0.30150 -1.0 2.0
   76    71    73    75   0.30150 -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
   49    55    51    52  10.50000 -1.0 2.0
   56    51    55    59   1.00000 -1.0 2.0
   66    59    65    67  10.50000 -1.0 2.0
   54    57    53    49   1.00000 -1.0 2.0
   53    62    57    58  10.50000 -1.0 2.0
   74    71    73    75  10.50000 -1.0 2.0
END
