* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    226     420
    1     0 S   NP   _N1_     1    28.98148    93.80226   -19.74962
    2     1 S   H    _HN1     2     1.02964   101.77217    37.28635
    3     1 S   H    _H1_     3     1.02841    29.79269   141.16045
    4     1 S   H    _H2_     4     1.02782    82.37089   -69.89925
    5     1 S   CT   _CA1     5     1.50089   136.96377   175.56125
    6     5 S   HC   _HA1     6     1.09571   105.30687    41.79483
    7     5 S   CO3  _C1_     7     1.53802   112.23612   -78.54412
    8     7 S   O2Z  _O11     8     1.26350   115.03984   -48.03146
    9     7 S   O2Z  _O12     9     1.26234   114.90031   131.24845
   10     5 S   CT   _CB1    10     1.53080   107.44250   159.71521
   11    10 S   HC   HB11    11     1.09818   109.45841   -50.78343
   12    10 S   HC   HB12    12     1.09836   110.37695    65.77567
   13    10 S   CT   _CG1    13     1.53017   112.63344  -171.93730
   14    13 S   HC   HG11    14     1.09539   110.29077   -59.10697
   15    13 S   HC   HG12    15     1.09612   110.24034    60.05614
   16    13 S   C    _CD1    16     1.51769   111.97924  -179.74977
   17    16 S   O    _OE1    17     1.22744   123.09500   -14.56925
   18    16 S   N    _N2_    18     1.38582   111.82124   165.97342
   19    18 S   H    _HN2    19     1.01592   119.07184     1.64948
   20    18 S   CT1  _CA2    20     1.46298   123.32997  -176.83684
   21    20 S   HC   _HA2    21     1.09732   109.38312   -16.56375
   22    20 S   C    _C2_    22     1.53364   108.29424  -132.40726
   23    22 S   O    _O2_    23     1.23003   122.26950  -145.35266
   24    20 S   CT   _CB2    32     1.53634   111.14764   105.55493
   25    24 S   HC   HB21    33     1.09192   108.89990    56.57289
   26    24 S   HC   HB22    34     1.09518   110.39921   174.46884
   27    22 S   N    _N3_    24     1.38514   113.30174    41.96997
   28    27 S   H    _HN3    25     1.01535   118.92256    -0.48295
   29    24 S   S    _SG2    35     1.82974   111.18874   -66.80772
   30    27 S   CT   _CA3    26     1.45449   123.41260   175.12930
   31    30 S   HC   HA31    27     1.09526   109.19767    25.02915
   32    30 S   HC   HA32    28     1.09494   107.12787   142.03066
   33    29 S   CT   _C16    36     1.86160   103.83880   148.72735
   34    30 S   CO3  _C3_    29     1.52931   113.15847   -98.41915
   35    34 S   O2Z  _O31    30     1.26399   115.42691   -43.82171
   36    34 S   O2Z  _O32    31     1.26358   114.96756   137.12238
   37    33 S   CT   _C9_    37     1.56013   105.15845   170.47973
   38    37 S   HC   _H24    38     1.09842   108.38705   -49.78940
   39    37 S   HC   _H25    39     1.09899   109.45705  -162.93623
   40    33 S   CT   _C13    53     1.55856   112.93168   -63.45563
   41    40 S   HC   _H30    54     1.09867   106.52658    54.48254
   42    37 S   CT   _C11    40     1.53653   116.80289    74.11748
   43    42 S   HC   _H28    41     1.09615   111.93359   -45.57043
   44    40 S   CT   _C8_    55     1.53595   104.28034   164.67252
   45    44 S   HC   _H22    56     1.09302   111.58007  -149.73497
   46    44 S   HC   _H23    57     1.09055   113.76515    84.53807
   47    42 S   CM   _C4_    42     1.49648   115.85835  -168.41257
   48    44 S   CO4  _C6_    58     1.51258   101.75865   -32.17875
   49    48 S   O    _O17    59     1.22471   123.31056  -171.43397
   50    47 S   CO4  _C5_    43     1.47871   108.65508  -143.05925
   51    50 S   O    _O16    44     1.21736   127.18533  -168.82629
   52    33 S   CT   _C12    60     1.56126   112.03570    50.14081
   53    52 S   HC   _H29    61     1.09594   111.23929   -47.15412
   54    47 S   CM   _C7_    70     1.33618   130.35688    36.43369
   55    54 S   HC   _H20    71     1.08411   121.50594     0.98258
   56    54 S   HC   _H21    72     1.08551   121.58291  -179.65736
   57    50 S   OS   _O18    45     1.36211   106.87790    10.00997
   58    52 S   CT   _C17    62     1.52059   117.39443    78.80688
   59    58 S   HC   _H33    63     1.09457   112.35572    66.23421
   60    58 S   HC   _H34    64     1.09404   111.29745   -56.03841
   61    58 S   HC   _H35    65     1.09593   110.07154  -175.31818
   62    42 S   CT   _C15    46     1.51958   111.10157    79.50424
   63    62 S   HC   _H32    47     1.09809   111.30536    37.69504
   64    62 S   CT   _C10    48     1.52292   115.82226   -87.01718
   65    64 S   HC   _H26    49     1.09931   108.98045   -93.40711
   66    64 S   HC   _H27    50     1.09889   107.60362   154.23051
   67    64 S   CT   _C14    51     1.53509   117.51272    29.65037
   68    67 S   HC   _H31    52     1.09699   107.29849   -76.89371
   69    67 S   CT   _C18    66     1.53994   107.95112   169.80580
   70    69 S   HC   _H36    67     1.09503   111.45444   -66.78096
   71    69 S   HC   _H37    68     1.09536   110.92711   172.67292
   72    69 S   HC   _H38    69     1.09491   110.85278    53.45910
  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  13   5   4   3
  24   2   1   1  19   7   6  20   9  15   7  11   5   4   9   8
   3   8   3   6   4   4   1   1   6   3   2   1   1   7   4   8
   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    67    40    41    44    48    52    53    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    62    64    67    68    40    41    44    45    46    48    49    52    53    58    59    60    61    69  
   35    36  
   36  
    0  
   38    39    42    43    47    50    57    62    63    64    67    40    41    44    48    52    53    58    54  
   39    42    43    47    62    40    52  
   42    43    47    62    40    52  
   41    44    45    46    48    49    52    53    58    69    70    71    72    42    62    64    65    66    67    68  
   44    45    46    48    52    69    64    67    68  
   43    47    50    51    57    62    63    64    65    66    67    52    54    55    56  
   47    50    57    62    63    64    54  
   45    46    48    49    52    53    58    69    64    67    68  
   46    48    49    52    67  
   48    49    52    67  
   50    51    57    62    63    64    54    55    56  
   49    52    53    58    59    60    61    67  
   52    53    58  
   51    57    62    63    64    54    55    56  
   57    62    54  
   53    58    59    60    61    67  
   58    59    60    61  
   55    56    57    62  
   56  
    0  
   62    63    64    65    66    67  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    52   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    62   268.000  1.529
   47    50   320.000  1.462
   47    54   549.000  1.340
   50    51   570.000  1.229
   50    57   214.000  1.327
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    40   268.000  1.529
   67    69   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.522
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    52    48    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    58    58.35000  112.70000
   37    42    43    37.50000  110.70000
   37    42    47    70.00000  112.02700
   37    42    62    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    50    65.00000  116.34900
   42    47    54    70.00000  124.00000
   42    62    57    50.00000  109.50000
   42    62    63    37.50000  110.70000
   42    62    64    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    50    51    80.00000  123.72100
   47    50    57    90.00000  111.29400
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   50    57    62    83.00000  116.90000
   57    50    51    83.00000  123.40000
   57    62    63    35.00000  109.50000
   57    62    64    50.00000  109.50000
   62    42    43    37.50000  110.70000
   62    42    47    70.00000  112.02700
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    58.35000  112.70000
   64    62    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    40    58.35000  112.70000
   64    67    69    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    40    41    37.50000  110.70000
   67    40    44    58.35000  112.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    63.00000  111.10000
   44    40    41    37.50000  110.70000
   44    48    49    80.00000  120.40000
   44    48    52    70.00000  116.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    58    63.00000  111.10000
   52    33    37    58.35000  112.70000
   52    33    40    58.35000  112.70000
   52    48    49    80.00000  120.40000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   58    52    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   69    67    68    37.50000  110.70000
   69    67    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    47    50    65.00000  118.96000
   56    54    55    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.44750  1.0 1.0
   29    33    52    58  -0.17800 -1.0 2.0
   29    33    52    58   0.20200  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    47   0.34400  1.0 1.0
   33    37    42    47   0.09450 -1.0 2.0
   33    37    42    47   0.11100  1.0 3.0
   33    37    42    62   0.56750  1.0 1.0
   33    37    42    62  -0.07550 -1.0 2.0
   33    37    42    62   0.20000  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40   -44    48  -0.95700  1.0 1.0
   33    40   -44    48  -0.18200 -1.0 2.0
   33    40   -44    48   0.29450  1.0 3.0
   33    52    58    59   0.15000  1.0 3.0
   33    52    58    60   0.15000  1.0 3.0
   33    52    58    61   0.15000  1.0 3.0
   37    33    40    67   0.56750  1.0 1.0
   37    33    40    67  -0.07550 -1.0 2.0
   37    33    40    67   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    33    52    48  -0.95700  1.0 1.0
   37    33    52    48  -0.18200 -1.0 2.0
   37    33    52    48   0.29450  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    58   0.56750  1.0 1.0
   37    33    52    58  -0.07550 -1.0 2.0
   37    33    52    58   0.20000  1.0 3.0
   37    42    47    50   0.09700  1.0 1.0
   37    42    47    50   0.15600 -1.0 2.0
   37    42    47    50  -0.50800  1.0 3.0
   37    42    47    54   0.09850  1.0 1.0
   37    42    47    54   0.15250 -1.0 2.0
   37    42    47    54  -0.50650  1.0 3.0
   37    42    62    57   0.62750  1.0 1.0
   37    42    62    57  -0.30950 -1.0 2.0
   37    42    62    57   0.27300  1.0 3.0
   37    42    62    63   0.15000  1.0 3.0
   37    42    62    64   0.56750  1.0 1.0
   37    42    62    64  -0.07550 -1.0 2.0
   37    42    62    64   0.20000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    62   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    47   0.15000  1.0 3.0
   39    37    42    62   0.15000  1.0 3.0
   42    47    50    51  -0.64400  1.0 1.0
   42    47    50    51   0.26850 -1.0 2.0
   42    47   -50    57  -0.15000  1.0 1.0
   42    47   -50    57   0.89550 -1.0 2.0
   42    47   -50    57  -0.06900  1.0 3.0
   42    47    54    55   7.00000 -1.0 2.0
   42    47    54    56   7.00000 -1.0 2.0
   42    62    64    65   0.15000  1.0 3.0
   42    62    64    66   0.15000  1.0 3.0
   42    62    64    67   0.56750  1.0 1.0
   42    62    64    67  -0.07550 -1.0 2.0
   42    62    64    67   0.20000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    62    57   0.23400  1.0 3.0
   43    42    62    63   0.15000  1.0 3.0
   43    42    62    64   0.15000  1.0 3.0
   47    42   -62    57   0.61850  1.0 1.0
   47    42   -62    57  -0.22750 -1.0 2.0
   47    42   -62    57   0.15300  1.0 3.0
   47    42    62    63   0.15000  1.0 3.0
   47    42    62    64   0.34400  1.0 1.0
   47    42    62    64   0.09450 -1.0 2.0
   47    42    62    64   0.11100  1.0 3.0
   47    50   -57    62   2.00000 -1.0 2.0
   50    47    54    55   7.00000 -1.0 2.0
   50    47    54    56   7.00000 -1.0 2.0
   50    57   -62    42  -0.25900  1.0 1.0
   50    57   -62    42  -0.47000 -1.0 2.0
   50    57   -62    42   0.11750  1.0 3.0
   50    57    62    63   0.08050  1.0 3.0
   50    57    62    64  -0.25900  1.0 1.0
   50    57    62    64  -0.47000 -1.0 2.0
   50    57    62    64   0.11750  1.0 3.0
   51    50    57    62   3.00000 -1.0 2.0
   57    62    64    65   0.23400  1.0 3.0
   57    62    64    66   0.23400  1.0 3.0
   57    62    64    67   0.62750  1.0 1.0
   57    62    64    67  -0.30950 -1.0 2.0
   57    62    64    67   0.27300  1.0 3.0
   62    42   -47    50   0.09700  1.0 1.0
   62    42   -47    50   0.15600 -1.0 2.0
   62    42   -47    50  -0.50800  1.0 3.0
   62    42    47    54   0.09850  1.0 1.0
   62    42    47    54   0.15250 -1.0 2.0
   62    42    47    54  -0.50650  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    40   0.56750  1.0 1.0
   62    64    67    40  -0.07550 -1.0 2.0
   62    64    67    40   0.20000  1.0 3.0
   62    64    67    69   0.56750  1.0 1.0
   62    64    67    69  -0.07550 -1.0 2.0
   62    64    67    69   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   64    67    40    33   0.56750  1.0 1.0
   64    67    40    33  -0.07550 -1.0 2.0
   64    67    40    33   0.20000  1.0 3.0
   64    67    40    41   0.15000  1.0 3.0
   64    67    40    44   0.56750  1.0 1.0
   64    67    40    44  -0.07550 -1.0 2.0
   64    67    40    44   0.20000  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    40   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    40   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   67    40    44    45   0.15000  1.0 3.0
   67    40    44    46   0.15000  1.0 3.0
   67    40    44    48  -0.95700  1.0 1.0
   67    40    44    48  -0.18200 -1.0 2.0
   67    40    44    48   0.29450  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    44   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33   -52    48  -0.95700  1.0 1.0
   40    33   -52    48  -0.18200 -1.0 2.0
   40    33   -52    48   0.29450  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    58   0.56750  1.0 1.0
   40    33    52    58  -0.07550 -1.0 2.0
   40    33    52    58   0.20000  1.0 3.0
   40    67    69    70   0.15000  1.0 3.0
   40    67    69    71   0.15000  1.0 3.0
   40    67    69    72   0.15000  1.0 3.0
   40    44    48    49   0.30150 -1.0 2.0
   40    44   -48    52   0.60050  1.0 1.0
   40    44   -48    52   0.05600 -1.0 2.0
   40    44   -48    52   0.26150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48  -0.11250  1.0 3.0
   44    48   -52    33   0.60050  1.0 1.0
   44    48   -52    33   0.05600 -1.0 2.0
   44    48   -52    33   0.26150  1.0 3.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    58   0.60050  1.0 1.0
   44    48    52    58   0.05600 -1.0 2.0
   44    48    52    58   0.26150  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52   0.00000  1.0 1.0
   46    44    48    49   0.00000  1.0 1.0
   46    44    48    52   0.00000  1.0 1.0
   48    52    58    59  -0.11250  1.0 3.0
   48    52    58    60  -0.11250  1.0 3.0
   48    52    58    61  -0.11250  1.0 3.0
   49    48    52    33   0.30150 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    58   0.30150 -1.0 2.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33    37    42   0.56750  1.0 1.0
   52    33    37    42  -0.07550 -1.0 2.0
   52    33    37    42   0.20000  1.0 3.0
   52    33    40    67   0.56750  1.0 1.0
   52    33    40    67  -0.07550 -1.0 2.0
   52    33    40    67   0.20000  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33   -40    44   0.56750  1.0 1.0
   52    33   -40    44  -0.07550 -1.0 2.0
   52    33   -40    44   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   69    67    40    33   0.56750  1.0 1.0
   69    67    40    33  -0.07550 -1.0 2.0
   69    67    40    33   0.20000  1.0 3.0
   69    67    40    41   0.15000  1.0 3.0
   69    67    40    44   0.56750  1.0 1.0
   69    67    40    44  -0.07550 -1.0 2.0
   69    67    40    44   0.20000  1.0 3.0
   54    47    50    51   1.00000 -1.0 2.0
   54    47    50    57  -0.56150  1.0 1.0
   54    47    50    57   2.19150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   42    50    47    54   1.10000 -1.0 2.0
   47    57    50    51  10.50000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
END
