* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    134    205     395
    1     0 S   NP   _N1_     1    29.11957    95.22979   -19.18035
    2     1 S   H    _HN1     2     1.02785    76.00857   -74.59575
    3     1 S   H    _H1_     3     1.02956    96.06194    32.76571
    4     1 S   H    _H2_     4     1.02841    39.51054   142.40787
    5     1 S   CT   _CA1     5     1.50064   146.70510   176.17700
    6     5 S   HC   _HA1     6     1.09579   105.29733    37.02103
    7     5 S   CO3  _C1_     7     1.53777   112.29033   -83.25822
    8     7 S   O2Z  _O11     8     1.26355   115.08475   -49.16635
    9     7 S   O2Z  _O12     9     1.26225   114.82122   130.13818
   10     5 S   CT   _CB1    10     1.53063   107.46619   154.83870
   11    10 S   HC   HB11    11     1.09817   109.38820   -52.00311
   12    10 S   HC   HB12    12     1.09829   110.41186    64.52802
   13    10 S   CT   _CG1    13     1.53000   112.60365  -173.19952
   14    13 S   HC   HG11    14     1.09569   110.27065   -60.12534
   15    13 S   HC   HG12    15     1.09616   110.23833    59.06514
   16    13 S   C    _CD1    16     1.51747   112.06433   179.30367
   17    16 S   O    _OE1    17     1.22734   123.14836   -13.68722
   18    16 S   N    _N2_    18     1.38559   111.72047   166.89040
   19    18 S   H    _HN2    19     1.01590   119.06285     1.47499
   20    18 S   CT1  _CA2    20     1.46253   123.38374  -176.93803
   21    20 S   HC   _HA2    21     1.09723   109.42817   -16.10418
   22    20 S   C    _C2_    22     1.53362   108.18957  -131.98670
   23    22 S   O    _O2_    23     1.23001   122.31311  -144.95727
   24    20 S   CT   _CB2    32     1.53423   111.09312   106.04313
   25    24 S   HC   HB21    33     1.09376   109.26176    54.96741
   26    24 S   HC   HB22    34     1.09502   110.81124   173.48645
   27    22 S   N    _N3_    24     1.38531   113.28738    42.33606
   28    27 S   H    _HN3    25     1.01533   118.91002    -0.50085
   29    24 S   S    _SG2    35     1.82779   111.71852   -66.93686
   30    27 S   CT   _CA3    26     1.45440   123.39354   175.15685
   31    30 S   HC   HA31    27     1.09526   109.18471    25.48511
   32    30 S   HC   HA32    28     1.09494   107.13892   142.47776
   33    29 S   CT   _C18    36     1.84383   100.02670   156.79247
   34    33 S   HC   _H3_    37     1.09563   106.75978    40.43675
   35    30 S   CO3  _C3_    29     1.52925   113.13391   -97.95555
   36    35 S   O2Z  _O31    30     1.26402   115.41075   -44.58711
   37    35 S   O2Z  _O32    31     1.26356   114.98024   136.35526
   38    33 S   CM   _C5_    38     1.53696   109.73621   -78.76052
   39    33 S   CT   _C17    64     1.54019   109.90249   156.99907
   40    39 S   HC   _H36    65     1.09745   109.81424   169.01314
   41    39 S   HC   _H37    66     1.09672   111.24846    50.03113
   42    38 S   CM   _C4_    39     1.35137   120.46256   -68.68058
   43    42 S   HC   _H20    40     1.08992   117.67156     1.47565
   44    38 S   CT   _C12    55     1.52680   114.29772   115.06163
   45    44 S   HC   _H27    56     1.09878   107.51906   -20.59578
   46    39 S   CO4  _C9_    67     1.52255   113.78041   -72.25178
   47    46 S   O    _O17    68     1.23003   122.93619   -17.00740
   48    42 S   CT   _C10    41     1.50276   129.83934  -177.63131
   49    48 S   HC   _H23    42     1.09691   109.36306    77.34442
   50    48 S   HC   _H24    43     1.09789   106.66345  -168.66985
   51    44 S   CT   _C16    57     1.53325   110.10200    94.11102
   52    51 S   HC   _H33    58     1.09468   112.23961    60.51492
   53    51 S   HC   _H34    59     1.09605   110.72117   -59.48485
   54    51 S   HC   _H35    60     1.09526   110.77036  -178.62002
   55    46 S   CT   _C15    69     1.50683   116.12044   165.29758
   56    55 S   HC   _H30    70     1.09270   109.54913    60.47695
   57    55 S   HC   _H31    71     1.09278   109.60302   -60.60697
   58    55 S   HC   _H32    72     1.09354   109.72674  -179.95154
   59    48 S   CT   _C13    44     1.52182   114.30171   -48.71477
   60    59 S   HC   _H28    45     1.09965   109.65220   -49.99567
   61    59 S   CM   _C6_    46     1.49264   118.22971  -172.69217
   62    61 S   CO4  _C7_    47     1.48240   107.27207  -152.05078
   63    62 S   O    _O16    48     1.21692   127.42013  -166.25718
   64    61 S   CM   _C8_    61     1.33501   130.93168    26.03723
   65    64 S   HC   _H21    62     1.08433   121.33147     1.80233
   66    64 S   HC   _H22    63     1.08516   121.54432  -179.19206
   67    62 S   OS   _O18    49     1.36772   106.50385    12.65075
   68    59 S   CT   _C14    50     1.51582   112.92699    73.55579
   69    68 S   HC   _H29    51     1.09800   112.39928    48.11923
   70    68 S   CT   _C11    52     1.52035   113.24489   -77.35348
   71    70 S   HC   _H25    53     1.09863   109.59452   -51.62126
   72    70 S   HC   _H26    54     1.09884   108.25209  -165.12175
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  20  10   4   3  12   5  13   8   5   4  11
   5   4   7   3   2   1   3   2   1   1  13   7   9   8   3   4
   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    48    70    44    45    51    39    40    41    46    47    55  
   38    42    44    39    40    41    46  
   36    37  
   37  
    0  
   42    43    48    49    50    59    68    70    71    72    44    45    51    52    53    54    39    40    41    46  
   40    41    46    47    55    56    57    58    42    44  
   41    46    47    55  
   46    47    55  
   43    48    49    50    59    60    61    68    70    44    45    51  
   48    49    50    59    44  
   45    51    52    53    54    48    59    67    68    69    70    71    72  
   51    52    53    54    68    70    71    72  
   47    55    56    57    58  
   55    56    57    58  
   49    50    59    60    61    62    67    68    69    70    64  
   50    59    60    61    68  
   59    60    61    68  
   52    53    54    68    70    71    72  
   53    54    70  
   54    70  
   70  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    67    68    69    70    71    72    64    65    66  
   61    62    67    68    69    70    64  
   62    63    67    68    69    70    64    65    66  
   63    67    68    69    70    64    65    66  
   67    68    64  
   65    66    67    68  
   66  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    68   268.000  1.529
   61    62   320.000  1.462
   61    64   549.000  1.340
   62    63   570.000  1.229
   62    67   214.000  1.327
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    44   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   64    65   340.000  1.080
   64    66   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   317.000  1.522
   46    47   570.000  1.229
   46    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   38    44    70    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    51    70.00000  112.02700
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    59    70.00000  112.02700
   48    42    43    35.00000  117.00000
   48    59    60    37.50000  110.70000
   48    59    61    70.00000  112.02700
   48    59    68    58.35000  112.70000
   50    48    49    33.00000  107.80000
   59    48    49    37.50000  110.70000
   59    48    50    37.50000  110.70000
   59    61    62    65.00000  116.34900
   59    61    64    70.00000  124.00000
   59    68    67    50.00000  109.50000
   59    68    69    37.50000  110.70000
   59    68    70    58.35000  112.70000
   61    59    60    35.00000  109.50000
   61    62    63    80.00000  123.72100
   61    62    67    90.00000  111.29400
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   62    67    68    83.00000  116.90000
   67    62    63    83.00000  123.40000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    61    70.00000  112.02700
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    44    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    44    45    37.50000  110.70000
   70    44    51    58.35000  112.70000
   72    70    71    33.00000  107.80000
   44    38    42    70.00000  124.00000
   44    70    71    37.50000  110.70000
   44    70    72    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   51    44    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   64    61    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    46    47    80.00000  120.40000
   39    46    55    70.00000  116.00000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
   46    55    56    35.00000  109.50000
   46    55    57    35.00000  109.50000
   46    55    58    35.00000  109.50000
   55    46    47    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    44    70   0.46850  1.0 1.0
   33    38    44    70   0.08550 -1.0 2.0
   33    38    44    70   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    51   0.46850  1.0 1.0
   33    38    44    51   0.08550 -1.0 2.0
   33    38    44    51   0.09800  1.0 3.0
   33    39    46    47   0.30150 -1.0 2.0
   33    39    46    55   0.60050  1.0 1.0
   33    39    46    55   0.05600 -1.0 2.0
   33    39    46    55   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    46  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    46  -0.98800  1.0 1.0
   38    33    39    46   0.48800 -1.0 2.0
   38    33    39    46   0.76800  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    59   0.09850  1.0 1.0
   38    42    48    59   0.15250 -1.0 2.0
   38    42    48    59  -0.50650  1.0 3.0
   38    44    51    52   0.15000  1.0 3.0
   38    44    51    53   0.15000  1.0 3.0
   38    44    51    54   0.15000  1.0 3.0
   42    38    44    70   0.09850  1.0 1.0
   42    38    44    70   0.15250 -1.0 2.0
   42    38    44    70  -0.50650  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    51   0.09850  1.0 1.0
   42    38    44    51   0.15250 -1.0 2.0
   42    38    44    51  -0.50650  1.0 3.0
   42    48    59    60   0.15000  1.0 3.0
   42    48    59    61   0.31000  1.0 1.0
   42    48    59    61   0.14700 -1.0 2.0
   42    48    59    61   0.07550  1.0 3.0
   42    48    59    68   0.34400  1.0 1.0
   42    48    59    68   0.09450 -1.0 2.0
   42    48    59    68   0.11100  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.33100  1.0 3.0
   43    42    48    59   0.00000  1.0 1.0
   48    59    61    62   0.09700  1.0 1.0
   48    59    61    62   0.15600 -1.0 2.0
   48    59    61    62  -0.50800  1.0 3.0
   48    59    61    64   0.09850  1.0 1.0
   48    59    61    64   0.15250 -1.0 2.0
   48    59    61    64  -0.50650  1.0 3.0
   48    59    68    67   0.62750  1.0 1.0
   48    59    68    67  -0.30950 -1.0 2.0
   48    59    68    67   0.27300  1.0 3.0
   48    59    68    69   0.15000  1.0 3.0
   48    59    68    70   0.56750  1.0 1.0
   48    59    68    70  -0.07550 -1.0 2.0
   48    59    68    70   0.20000  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   49    48    59    68   0.15000  1.0 3.0
   50    48    59    60   0.15000  1.0 3.0
   50    48    59    61   0.15000  1.0 3.0
   50    48    59    68   0.15000  1.0 3.0
   59    61    62    63  -0.64400  1.0 1.0
   59    61    62    63   0.26850 -1.0 2.0
   59    61   -62    67  -0.15000  1.0 1.0
   59    61   -62    67   0.89550 -1.0 2.0
   59    61   -62    67  -0.06900  1.0 3.0
   59    61    64    65   7.00000 -1.0 2.0
   59    61    64    66   7.00000 -1.0 2.0
   59    68    70    71   0.15000  1.0 3.0
   59    68    70    72   0.15000  1.0 3.0
   59    68    70    44   0.56750  1.0 1.0
   59    68    70    44  -0.07550 -1.0 2.0
   59    68    70    44   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.00000  1.0 1.0
   60    59    68    67   0.23400  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   61    59   -68    67   0.61850  1.0 1.0
   61    59   -68    67  -0.22750 -1.0 2.0
   61    59   -68    67   0.15300  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    70   0.34400  1.0 1.0
   61    59    68    70   0.09450 -1.0 2.0
   61    59    68    70   0.11100  1.0 3.0
   61    62   -67    68   2.00000 -1.0 2.0
   62    61    64    65   7.00000 -1.0 2.0
   62    61    64    66   7.00000 -1.0 2.0
   62    67   -68    59  -0.25900  1.0 1.0
   62    67   -68    59  -0.47000 -1.0 2.0
   62    67   -68    59   0.11750  1.0 3.0
   62    67    68    69   0.08050  1.0 3.0
   62    67    68    70  -0.25900  1.0 1.0
   62    67    68    70  -0.47000 -1.0 2.0
   62    67    68    70   0.11750  1.0 3.0
   63    62    67    68   3.00000 -1.0 2.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    44   0.62750  1.0 1.0
   67    68    70    44  -0.30950 -1.0 2.0
   67    68    70    44   0.27300  1.0 3.0
   68    59   -61    62   0.09700  1.0 1.0
   68    59   -61    62   0.15600 -1.0 2.0
   68    59   -61    62  -0.50800  1.0 3.0
   68    59    61    64   0.09850  1.0 1.0
   68    59    61    64   0.15250 -1.0 2.0
   68    59    61    64  -0.50650  1.0 3.0
   68    70    44    38   0.34400  1.0 1.0
   68    70    44    38   0.09450 -1.0 2.0
   68    70    44    38   0.11100  1.0 3.0
   68    70    44    45   0.15000  1.0 3.0
   68    70    44    51   0.56750  1.0 1.0
   68    70    44    51  -0.07550 -1.0 2.0
   68    70    44    51   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    44   0.15000  1.0 3.0
   70    44    51    52   0.15000  1.0 3.0
   70    44    51    53   0.15000  1.0 3.0
   70    44    51    54   0.15000  1.0 3.0
   71    70    44    38   0.15000  1.0 3.0
   71    70    44    45   0.15000  1.0 3.0
   71    70    44    51   0.15000  1.0 3.0
   72    70    44    38   0.15000  1.0 3.0
   72    70    44    45   0.15000  1.0 3.0
   72    70    44    51   0.15000  1.0 3.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    48   7.00000 -1.0 2.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   64    61    62    63   1.00000 -1.0 2.0
   64    61    62    67  -0.56150  1.0 1.0
   64    61    62    67   2.19150 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    46    55    56   0.00000  1.0 1.0
   39    46    55    57   0.00000  1.0 1.0
   39    46    55    58   0.00000  1.0 1.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    55   0.00000  1.0 1.0
   41    39    46    47   0.00000  1.0 1.0
   41    39    46    55   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   47    46    55    57   0.00000  1.0 1.0
   47    46    55    58   0.00000  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    44    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   59    62    61    64   1.10000 -1.0 2.0
   61    67    62    63  10.50000 -1.0 2.0
   65    66    64    61   1.10000 -1.0 2.0
   39    55    46    47  10.50000 -1.0 2.0
END
