* LIGAND DATABASE FILE (OPLS2005)
*
001      78    77    137    204     405
    1     0 S   NP   _N1_     1    29.01762    95.51554   -23.39578
    2     1 S   H    _HN1     2     1.02829    31.89411   169.40441
    3     1 S   H    _H1_     3     1.02789   108.20484   -95.80400
    4     1 S   H    _H2_     4     1.02949    77.08018     9.55810
    5     1 S   CT   _CA1     5     1.50115   133.20093   115.54272
    6     5 S   HC   _HA1     6     1.09573   105.18780    86.38513
    7     5 S   CO3  _C1_     7     1.53787   112.48252   -33.84344
    8     7 S   O2Z  _O11     8     1.26373   115.00918   -42.12750
    9     7 S   O2Z  _O12     9     1.26242   114.94681   137.00412
   10     5 S   CT   _CB1    10     1.53077   107.42094  -155.62833
   11    10 S   HC   HB11    11     1.09834   109.36353   -49.62737
   12    10 S   HC   HB12    12     1.09813   110.44966    66.98076
   13    10 S   CT   _CG1    13     1.52994   112.61129  -170.60117
   14    13 S   HC   HG11    14     1.09580   110.63874   -65.93807
   15    13 S   HC   HG12    15     1.09671   109.77520    53.29792
   16    13 S   C    _CD1    16     1.51798   112.20912   173.75317
   17    16 S   O    _OE1    17     1.22718   123.25216     7.46082
   18    16 S   N    _N2_    18     1.38647   111.67389  -172.60304
   19    18 S   H    _HN2    19     1.01574   118.91445     1.89145
   20    18 S   CT1  _CA2    20     1.46195   123.42291   177.35514
   21    20 S   HC   _HA2    21     1.09603   109.36467     3.36150
   22    20 S   C    _C2_    22     1.53566   108.39061  -111.79141
   23    22 S   O    _O2_    23     1.23051   122.34583  -146.01859
   24    20 S   CTL  _CB2    32     1.53309   111.55028   126.05424
   25    24 S   HC   HB21    33     1.09666   109.64037    59.58818
   26    24 S   HC   HB22    34     1.09559   111.14231   176.86900
   27    22 S   N    _N3_    24     1.38359   113.66469    41.20395
   28    27 S   H    _HN3    25     1.01575   119.58442    -2.74716
   29    24 S   S    _SG2    35     1.82958   114.26052   -59.99887
   30    27 S   CT   _CA3    26     1.45280   123.21306   177.28430
   31    30 S   HC   HA31    27     1.09548   107.45864   -65.95953
   32    30 S   HC   HA32    28     1.09557   108.04831    50.48907
   33    29 S   S    _S1_    36     2.05640   103.05092   -66.24212
   34    30 S   CO3  _C3_    29     1.52960   114.08645   172.53158
   35    34 S   O2Z  _O31    30     1.26375   116.09085    -0.74494
   36    34 S   O2Z  _O32    31     1.26431   114.41324   179.33677
   37    33 S   CTL  _C15    37     1.82973   101.86387   -82.61730
   38    37 S   HC   _H19    38     1.09501   108.56628    57.35799
   39    37 S   HC   _H20    39     1.09536   107.87829   -59.23521
   40    37 S   CT1  _C14    40     1.53610   112.62812   179.52440
   41    40 S   HC   _H5_    41     1.09850   107.52142   177.99543
   42    40 S   CO3  _C16    42     1.54466   111.41187   -66.34688
   43    42 S   O2Z  _O40    43     1.26423   115.70902   127.35391
   44    42 S   O2Z  _O39    44     1.26460   115.09532   -53.56674
   45    40 S   N    _N6_    45     1.46470   112.00798    61.79652
   46    45 S   H    _H18    46     1.01667   116.78116  -105.76672
   47    45 S   C    _C13    47     1.38510   123.42838    74.87500
   48    47 S   O    _O38    48     1.23004   124.44155    -0.55602
   49    47 S   CT1  _C10    49     1.52951   112.49182  -178.24866
   50    49 S   HC   _H4_    50     1.09682   108.85653   -41.23882
   51    49 S   CT   _C11    51     1.52569   109.62943    80.66056
   52    51 S   HC   _H16    52     1.09744   110.96910    62.75225
   53    51 S   HC   _H17    53     1.09680   110.98977   -55.61056
   54    49 S   N    _N5_    57     1.45835   107.13005  -158.16705
   55    54 S   H    _H15    58     1.01551   117.34929   -89.23834
   56    51 S   CO3  _C12    54     1.52639   109.62055  -175.36320
   57    56 S   O2Z  _O37    55     1.26318   114.86228  -107.52012
   58    56 S   O2Z  _O36    56     1.26262   115.20863    72.96865
   59    54 S   C    _C9_    59     1.38378   122.66556    86.54915
   60    59 S   O    _O35    60     1.22958   125.03633     1.55733
   61    59 S   CT1  _C5_    61     1.52405   113.09685  -176.13938
   62    61 S   HC   _H3_    62     1.09538   112.11661     3.24643
   63    61 S   CTJ  _C6_    63     1.53271   111.31100  -120.99334
   64    63 S   HC   _H11    64     1.09800   109.35785  -170.36834
   65    63 S   HC   _H12    65     1.09796   110.24814   -53.54083
   66    61 S   NP   _N4_    72     1.51416   109.25117   120.66975
   67    66 S   H    _H9_    73     1.02904   108.97200   171.24649
   68    66 S   H    _H10    74     1.03020   108.88908    56.20108
   69    63 S   CTI  _C7_    66     1.52786   112.41141    68.74840
   70    69 S   HC   _H13    67     1.09707   109.45916    54.34912
   71    69 S   HC   _H14    68     1.09651   110.07025   -63.51912
   72    66 S   CT   _C4_    75     1.48934   115.21963   -66.78960
   73    72 S   HC   _H6_    76     1.09162   108.70977    65.18324
   74    72 S   HC   _H7_    77     1.09231   107.23648  -175.66713
   75    72 S   HC   _H8_    78     1.09231   108.40584   -56.33098
   76    69 S   CO3  _C8_    69     1.53310   114.41992   175.38463
   77    76 S   O2Z  _O34    70     1.26165   116.52813     6.82228
   78    76 S   O2Z  _O33    71     1.26448   114.14394  -173.13804
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4   9   6   5   2   1   7   3  10   4
  12   7   8   5   4   8   3   2   1   1  11   4  15   8  12   6
   5   7   5   4   5   4   3   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47  
   39    40    41    42    45  
   40    41    42    45  
   41    42    43    44    45    46    47    48    49  
   42    43    44    45    46    47  
   43    44    45    46    47  
   44    45  
   45  
   46    47    48    49    50    51    54  
   47    48    49  
   48    49    50    51    52    53    56    54    55    59  
   49    50    51    54  
   50    51    52    53    56    57    58    54    55    59    60    61  
   51    52    53    56    54    55    59  
   52    53    56    57    58    54    55    59  
   53    56    57    58    54  
   56    57    58    54  
   55    59    60    61    62    63    66    56  
   59    60    61  
   57    58  
   58  
    0  
   60    61    62    63    64    65    69    66    67    68    72  
   61    62    63    66  
   62    63    64    65    69    70    71    76    66    67    68    72    73    74    75  
   63    64    65    69    66    67    68    72  
   64    65    69    70    71    76    77    78    66    67    68    72  
   65    69    70    71    76    66  
   69    70    71    76    66  
   67    68    72    73    74    75    69  
   68    72    73    74    75  
   72    73    74    75  
   70    71    76    77    78  
   71    76    77    78  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78  
   78  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   67   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    45   337.000  1.449
   42    43   656.000  1.250
   42    44   656.000  1.250
   45    46   434.000  1.010
   45    47   490.000  1.335
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
   54    55   434.000  1.010
   54    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   317.000  1.522
   76    77   656.000  1.250
   76    78   656.000  1.250
   66    67   434.000  1.010
   66    68   434.000  1.010
   66    72   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    45    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    70.00000  117.00000
   40    42    44    70.00000  117.00000
   40    45    46    38.00000  118.40000
   40    45    47    50.00000  121.90000
   42    40    41    35.00000  109.50000
   44    42    43    80.00000  126.00000
   45    40    41    35.00000  109.50000
   45    40    42    63.00000  110.10000
   45    47    48    80.00000  122.90000
   45    47    49    70.00000  116.60000
   47    45    46    35.00000  119.80000
   47    49    50    35.00000  109.50000
   47    49    51    63.00000  111.10000
   47    49    54    63.00000  110.10000
   49    47    48    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    63.00000  111.10000
   49    54    55    38.00000  118.40000
   49    54    59    50.00000  121.90000
   51    49    50    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
   54    49    50    35.00000  109.50000
   54    49    51    80.00000  109.70000
   54    59    60    80.00000  122.90000
   54    59    61    70.00000  116.60000
   59    54    55    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    63.00000  111.10000
   59    61    66    80.00000  111.20000
   61    59    60    80.00000  120.40000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    69    58.35000  112.70000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    72    75.00000  113.01200
   63    61    62    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    76    63.00000  111.10000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    76    77    70.00000  117.00000
   69    76    78    70.00000  117.00000
   71    69    70    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    71    35.00000  109.50000
   78    76    77    80.00000  126.00000
   66    61    62    35.00000  109.50000
   66    61    63    80.00000  111.20000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   68    66    67    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    68    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    45   0.71400  1.0 1.0
   33    37    40    45   0.04300 -1.0 2.0
   33    37    40    45   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    44   0.00000  1.0 1.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    47   0.25950  1.0 1.0
   37    40    45    47   0.43850 -1.0 2.0
   37    40    45    47   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    45   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    45   0.23200  1.0 3.0
   40    45    47    48   3.04450 -1.0 2.0
   40    45    47    49   1.15000  1.0 1.0
   40    45    47    49   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47  -0.29800  1.0 1.0
   42    40    45    47   0.13950 -1.0 2.0
   42    40    45    47  -2.45650  1.0 3.0
   45    40    42    43   0.00000  1.0 1.0
   45    40    42    44   0.00000  1.0 1.0
   45    47    49    50   0.00000  1.0 1.0
   45    47    49    51   0.93250  1.0 1.0
   45    47    49    51   0.04450 -1.0 2.0
   45    47    49    51   0.17550  1.0 3.0
   45    47    49    54   0.37150  1.0 1.0
   45    47    49    54   1.25400 -1.0 2.0
   45    47    49    54  -0.40250  1.0 3.0
   46    45    47    48   2.45000 -1.0 2.0
   46    45    47    49   2.45000 -1.0 2.0
   47    49    51    52  -0.03800  1.0 3.0
   47    49    51    53  -0.03800  1.0 3.0
   47    49    51    56  -2.38700  1.0 1.0
   47    49    51    56   1.51550 -1.0 2.0
   47    49    54    55   0.00000  1.0 1.0
   47    49    54    59  -0.29800  1.0 1.0
   47    49    54    59   0.13950 -1.0 2.0
   47    49    54    59  -2.45650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    54   0.00000  1.0 1.0
   49    51    56    57   0.27300 -1.0 2.0
   49    51    56    58   0.27300 -1.0 2.0
   49    54    59    60   3.04450 -1.0 2.0
   49    54    59    61   1.15000  1.0 1.0
   49    54    59    61   3.04450 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    59   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    59   0.25950  1.0 1.0
   51    49    54    59   0.43850 -1.0 2.0
   51    49    54    59   2.61650  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   54    49    51    52   0.23200  1.0 3.0
   54    49    51    53   0.23200  1.0 3.0
   54    49    51    56  -4.72850  1.0 1.0
   54    49    51    56  -0.07700 -1.0 2.0
   54    49    51    56  -0.12650  1.0 3.0
   54    59    61    62   0.00000  1.0 1.0
   54    59    61    63   0.93250  1.0 1.0
   54    59    61    63   0.04450 -1.0 2.0
   54    59    61    63   0.17550  1.0 3.0
   54    59    61    66   0.37150  1.0 1.0
   54    59    61    66   1.25400 -1.0 2.0
   54    59    61    66  -0.40250  1.0 3.0
   55    54    59    60   2.45000 -1.0 2.0
   55    54    59    61   2.45000 -1.0 2.0
   59    61    63    64  -0.03800  1.0 3.0
   59    61    63    65  -0.03800  1.0 3.0
   59    61    63    69  -0.76350  1.0 1.0
   59    61    63    69   1.70300 -1.0 2.0
   59    61    66    67   0.17350  1.0 3.0
   59    61    66    68   0.17350  1.0 3.0
   59    61    66    72   0.47100  1.0 1.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    66   0.00000  1.0 1.0
   61    63    69    70   0.15000  1.0 3.0
   61    63    69    71   0.15000  1.0 3.0
   61    63    69    76  -1.59250  1.0 1.0
   61    63    69    76  -0.41250 -1.0 2.0
   61    63    69    76   0.24650  1.0 3.0
   61    66    72    73   0.15000  1.0 3.0
   61    66    72    74   0.15000  1.0 3.0
   61    66    72    75   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    69   0.15000  1.0 3.0
   62    61    66    67   0.13050  1.0 3.0
   62    61    66    68   0.13050  1.0 3.0
   62    61    66    72   0.15000  1.0 3.0
   63    61    66    67   0.17350  1.0 3.0
   63    61    66    68   0.17350  1.0 3.0
   63    61    66    72   0.47100  1.0 1.0
   63    69    76    77   0.27300 -1.0 2.0
   63    69    76    78   0.27300 -1.0 2.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    76  -0.11250  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    76  -0.11250  1.0 3.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   71    69    76    77   0.00000  1.0 1.0
   71    69    76    78   0.00000  1.0 1.0
   66    61    63    64   0.23200  1.0 3.0
   66    61    63    65   0.23200  1.0 3.0
   66    61    63    69   1.79450  1.0 1.0
   66    61    63    69   1.06000 -1.0 2.0
   66    61    63    69  -0.53000  1.0 3.0
   67    66    72    73   0.13050  1.0 3.0
   67    66    72    74   0.13050  1.0 3.0
   67    66    72    75   0.13050  1.0 3.0
   68    66    72    73   0.13050  1.0 3.0
   68    66    72    74   0.13050  1.0 3.0
   68    66    72    75   0.13050  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   43    40    42    44  10.50000 -1.0 2.0
   46    47    45    40   1.00000 -1.0 2.0
   45    49    47    48  10.50000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
   55    59    54    49   1.00000 -1.0 2.0
   54    61    59    60  10.50000 -1.0 2.0
   77    69    76    78  10.50000 -1.0 2.0
END
