* LIGAND DATABASE FILE (OPLS2005)
*
001      76    75    134    193     390
    1     0 S   NP   _N1_     1    29.41925    92.03106   -24.86248
    2     1 S   H    _HN1     2     1.03499    95.80008    32.15606
    3     1 S   H    _H1_     3     1.02750    11.26131  -145.78900
    4     1 S   H    _H2_     4     1.02728   113.27915   -79.64576
    5     1 S   CT   _CA1     5     1.50330   116.08960   148.33865
    6     5 S   HC   _HA1     6     1.09593   104.90412    78.00062
    7     5 S   CO3  _C1_     7     1.53934   113.08243   -40.89411
    8     7 S   O2Z  _O11     8     1.26365   115.34638   -24.51349
    9     7 S   O2Z  _O12     9     1.26299   114.97904   153.99259
   10     5 S   CT   _CB1    10     1.53037   106.73659  -164.54868
   11    10 S   HC   HB11    11     1.09829   108.77899   -47.92964
   12    10 S   HC   HB12    12     1.09779   110.21216    68.19182
   13    10 S   CT   _CG1    13     1.52956   113.88403  -169.58191
   14    13 S   HC   HG11    14     1.09553   110.28620   -68.65247
   15    13 S   HC   HG12    15     1.09617   110.36380    50.97217
   16    13 S   C    _CD1    16     1.51900   111.70383   170.70635
   17    16 S   O    _OE1    17     1.22806   123.08624   -12.06581
   18    16 S   N    _N2_    18     1.38633   112.12768   168.98688
   19    18 S   H    _HN2    19     1.01574   119.29948     0.18131
   20    18 S   CT1  _CA2    20     1.46178   122.80358   179.70392
   21    20 S   HC   _HA2    21     1.09757   109.10333    -9.95594
   22    20 S   C    _C2_    22     1.53420   108.65301  -125.26436
   23    22 S   O    _O2_    23     1.23043   122.41473  -149.11160
   24    20 S   CT   _CB2    32     1.53555   112.33327   111.61589
   25    24 S   HC   HB21    33     1.09578   110.03484    60.96414
   26    24 S   HC   HB22    34     1.09344   109.04239   179.40785
   27    22 S   N    _N3_    24     1.38403   113.52189    38.51868
   28    27 S   H    _HN3    25     1.01649   119.45003    -3.88282
   29    24 S   S    _SG2    35     1.83215   111.56530   -59.44653
   30    27 S   CT   _CA3    26     1.45282   123.03792   176.80071
   31    30 S   HC   HA31    27     1.09556   107.57252   -62.34006
   32    30 S   HC   HA32    28     1.09561   107.86922    54.02280
   33    29 S   CT   _C4_    36     1.85727   102.37929  -162.18358
   34    33 S   OM   _O33    37     1.31776   111.37651   -51.38478
   35    30 S   CO3  _C3_    29     1.52909   114.23010   175.98751
   36    35 S   O2Z  _O31    30     1.26351   116.08514    -0.34830
   37    35 S   O2Z  _O32    31     1.26437   114.39786   179.69036
   38    33 S   CT   _C5_    38     1.55302   111.85773    69.22656
   39    38 S   Cl   Cl1_    39     1.79324   114.98415    54.94028
   40    38 S   HC   _H3_    40     1.09675   112.13882   -65.99819
   41    38 S   HC   _H4_    41     1.09866   111.41532   175.56518
   42    33 S   S    _S1_    42     1.86991   107.63457  -172.13823
   43    42 S   CT   _C6_    43     1.83768   102.01003    74.20794
   44    43 S   HC   _H5_    44     1.09497   107.63198    76.46790
   45    43 S   HC   _H6_    45     1.09409   109.51083   -40.76236
   46    43 S   CT1  _C7_    46     1.53549   112.97617  -162.41614
   47    46 S   HC   _H7_    47     1.09829   107.92881  -176.63442
   48    46 S   C    _C8_    48     1.53026   113.43803   -58.01770
   49    48 S   O    _O34    49     1.23014   122.81301   110.53550
   50    46 S   N    _N5_    58     1.45894   112.56127    65.94351
   51    50 S   H    _H11    59     1.01622   117.78992   -99.82909
   52    48 S   N    _N4_    50     1.38441   112.82863   -69.21695
   53    52 S   H    _H8_    51     1.01635   120.38523    -0.31714
   54    50 S   C    _C11    60     1.38533   122.53602    79.74087
   55    54 S   O    _O37    61     1.22799   124.62764    -2.41095
   56    52 S   CT   _C9_    52     1.45343   122.43294   179.40917
   57    56 S   HC   _H9_    53     1.09565   107.53167   -61.94239
   58    56 S   HC   _H10    54     1.09568   107.87762    54.37224
   59    54 S   CT   _C12    62     1.52002   112.16474   176.96668
   60    59 S   HC   _H12    63     1.09565   108.12544    65.88504
   61    59 S   HC   _H13    64     1.09526   107.52876   -50.69573
   62    56 S   CO3  _C10    55     1.52881   114.39049   176.34312
   63    62 S   O2Z  _O36    56     1.26329   116.10549    -0.56545
   64    62 S   O2Z  _O35    57     1.26452   114.39786   179.52770
   65    59 S   CT   _C13    65     1.53225   111.66897  -172.40446
   66    65 S   HC   _H14    66     1.09844   109.12840    49.65580
   67    65 S   HC   _H15    67     1.09727   108.17977   -65.04948
   68    65 S   CT   _C14    68     1.53147   115.68315   172.11922
   69    68 S   HC   _H16    69     1.09670   108.74561  -174.09250
   70    68 S   CO3  _C15    70     1.53533   111.38984    66.82914
   71    70 S   O2Z  _O39    71     1.26344   115.03501    84.53520
   72    70 S   O2Z  _O38    72     1.26351   115.07022   -96.66928
   73    68 S   NP   _N6_    73     1.49721   109.59859   -60.30375
   74    73 S   H    _H17    74     1.02832   110.53850  -168.81320
   75    73 S   H    _H18    75     1.02902   110.73465    73.32195
   76    73 S   H    _H19    76     1.02775   112.29890   -48.30577
  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   8   5   4   3
  10   6   2   1   1   5   3   2   1   7  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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    50  
   44    45    46    47    48    49    52    50    51    54  
   45    46    47    48    50  
   46    47    48    50  
   47    48    49    52    53    56    50    51    54    55    59  
   48    49    52    50    51    54  
   49    52    53    56    57    58    62    50    51    54  
   52    53    56    50  
   51    54    55    59    60    61    65    52  
   54    55    59  
   53    56    57    58    62    63    64  
   56    57    58    62  
   55    59    60    61    65    66    67    68  
   59    60    61    65  
   57    58    62    63    64  
   58    62    63    64  
   62    63    64  
   60    61    65    66    67    68    69    70    73  
   61    65    66    67    68  
   65    66    67    68  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    73    74    75    76  
   67    68    69    70    73  
   68    69    70    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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  -0.005000   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   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   71   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   74   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   76   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   268.000  1.529
   33    42   222.000  1.810
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   317.000  1.522
   46    50   337.000  1.449
   48    49   570.000  1.229
   48    52   490.000  1.335
   52    53   434.000  1.010
   52    56   337.000  1.449
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   50    51   434.000  1.010
   50    54   490.000  1.335
   54    55   570.000  1.229
   54    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.522
   68    73   367.000  1.471
   70    71   656.000  1.250
   70    72   656.000  1.250
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   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    75.00000  111.63000
   29    33    42    75.00000  118.28000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   40    38    39    51.00000  107.60000
   41    38    39    51.00000  107.60000
   41    38    40    33.00000  107.80000
   42    33    34    85.00000  114.68000
   42    33    38    75.00000  111.63000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    75.00000  108.68000
   43    46    47    37.50000  110.70000
   43    46    48    63.00000  111.10000
   43    46    50    80.00000  109.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    80.00000  120.40000
   46    48    52    70.00000  116.60000
   46    50    51    38.00000  118.40000
   46    50    54    50.00000  121.90000
   48    46    47    35.00000  109.50000
   48    52    53    35.00000  119.80000
   48    52    56    50.00000  121.90000
   52    48    49    80.00000  122.90000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    62    63.00000  110.10000
   56    52    53    38.00000  118.40000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   64    62    63    80.00000  126.00000
   50    46    47    35.00000  109.50000
   50    46    48    63.00000  110.10000
   50    54    55    80.00000  122.90000
   50    54    59    70.00000  116.60000
   54    50    51    35.00000  119.80000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    65    63.00000  111.10000
   59    54    55    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    70.00000  109.69300
   65    68    73    80.00000  111.20000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    70.00000  117.00000
   68    70    72    70.00000  117.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    80.00000  126.00000
   73    68    69    35.00000  109.50000
   73    68    70    80.00000  109.26000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    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    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   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    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.08500  1.0 1.0
   29    33    42    43  -0.53150 -1.0 2.0
   29    33    42    43   0.48050  1.0 3.0
   33    42    43    44   0.32350  1.0 3.0
   33    42    43    45   0.32350  1.0 3.0
   33    42    43    46   0.01700  1.0 1.0
   33    42    43    46  -0.23550 -1.0 2.0
   33    42    43    46   0.21350  1.0 3.0
   34    33    38    39   0.56750  1.0 1.0
   34    33    38    39  -0.07550 -1.0 2.0
   34    33    38    39   0.20000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43   0.13850  1.0 1.0
   34    33    42    43  -1.34450 -1.0 2.0
   34    33    42    43   0.57400  1.0 3.0
   38    33    42    43   0.01700  1.0 1.0
   38    33    42    43  -0.23550 -1.0 2.0
   38    33    42    43   0.21350  1.0 3.0
   42    33    38    39   0.56750  1.0 1.0
   42    33    38    39  -0.07550 -1.0 2.0
   42    33    38    39   0.20000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    46    47   0.15000  1.0 3.0
   42    43    46    48  -2.17200  1.0 1.0
   42    43    46    48  -0.85700 -1.0 2.0
   42    43    46    50   0.71400  1.0 1.0
   42    43    46    50   0.04300 -1.0 2.0
   42    43    46    50   0.01450  1.0 3.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    52   0.93250  1.0 1.0
   43    46    48    52   0.04450 -1.0 2.0
   43    46    48    52   0.17550  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.25950  1.0 1.0
   43    46    50    54   0.43850 -1.0 2.0
   43    46    50    54   2.61650  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48  -0.03800  1.0 3.0
   44    43    46    50   0.23200  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48  -0.03800  1.0 3.0
   45    43    46    50   0.23200  1.0 3.0
   46    48    52    53   2.45000 -1.0 2.0
   46    48    52    56   1.15000  1.0 1.0
   46    48    52    56   3.04450 -1.0 2.0
   46    50    54    55   3.04450 -1.0 2.0
   46    50    54    59   1.15000  1.0 1.0
   46    50    54    59   3.04450 -1.0 2.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    52   0.00000  1.0 1.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.00000  1.0 1.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    54  -0.29800  1.0 1.0
   48    46    50    54   0.13950 -1.0 2.0
   48    46    50    54  -2.45650  1.0 3.0
   48    52    56    57   0.00000  1.0 1.0
   48    52    56    58   0.00000  1.0 1.0
   48    52    56    62  -0.29800  1.0 1.0
   48    52    56    62   0.13950 -1.0 2.0
   48    52    56    62  -2.45650  1.0 3.0
   49    48    52    53   2.45000 -1.0 2.0
   49    48    52    56   3.04450 -1.0 2.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    64   0.00000  1.0 1.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    56    62    63   0.00000  1.0 1.0
   58    56    62    64   0.00000  1.0 1.0
   50    46    48    49   0.00000  1.0 1.0
   50    46    48    52   0.37150  1.0 1.0
   50    46    48    52   1.25400 -1.0 2.0
   50    46    48    52  -0.40250  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   50    54    59    65   1.39750  1.0 1.0
   50    54    59    65  -0.07950 -1.0 2.0
   50    54    59    65  -0.18750  1.0 3.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    59   2.45000 -1.0 2.0
   54    59    65    66  -0.11250  1.0 3.0
   54    59    65    67  -0.11250  1.0 3.0
   54    59    65    68  -0.95700  1.0 1.0
   54    59    65    68  -0.18200 -1.0 2.0
   54    59    65    68   0.29450  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    65   0.30150 -1.0 2.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70  -1.63150  1.0 1.0
   59    65    68    70  -0.43550 -1.0 2.0
   59    65    68    70   0.24500  1.0 3.0
   59    65    68    73   1.36600  1.0 1.0
   59    65    68    73  -0.11450 -1.0 2.0
   59    65    68    73   0.24250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    68    70    71   0.41150 -1.0 2.0
   65    68    70    72   0.41150 -1.0 2.0
   65    68    73    74   0.17350  1.0 3.0
   65    68    73    75   0.17350  1.0 3.0
   65    68    73    76   0.17350  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70  -0.11250  1.0 3.0
   66    65    68    73   0.19200  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70  -0.11250  1.0 3.0
   67    65    68    73   0.19200  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.13050  1.0 3.0
   70    68    73    74   0.17350  1.0 3.0
   70    68    73    75   0.17350  1.0 3.0
   70    68    73    76   0.17350  1.0 3.0
   73    68    70    71   0.30150 -1.0 2.0
   73    68    70    72   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
   46    52    48    49  10.50000 -1.0 2.0
   53    48    52    56   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   51    54    50    46   1.00000 -1.0 2.0
   50    59    54    55  10.50000 -1.0 2.0
   71    68    70    72  10.50000 -1.0 2.0
END
