* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    28.81573    95.97471   -25.33811
    2     1 S   H    _HN1     2     1.02827    35.24876  -173.54138
    3     1 S   H    _H1_     3     1.02794   117.64660   -91.61606
    4     1 S   H    _H2_     4     1.02949    71.90789    10.11101
    5     1 S   CT   _CA1     5     1.50123   126.27055   112.54981
    6     5 S   HC   _HA1     6     1.09575   105.16743    95.62353
    7     5 S   CO3  _C1_     7     1.53756   112.47818   -24.58727
    8     7 S   O2Z  _O11     8     1.26369   115.00839   -42.44710
    9     7 S   O2Z  _O12     9     1.26233   114.93978   136.60415
   10     5 S   CT   _CB1    10     1.53062   107.40927  -146.41379
   11    10 S   HC   HB11    11     1.09841   109.29712   -49.61426
   12    10 S   HC   HB12    12     1.09811   110.48570    66.96808
   13    10 S   CT   _CG1    13     1.53023   112.65482  -170.56481
   14    13 S   HC   HG11    14     1.09575   110.72923   -67.64288
   15    13 S   HC   HG12    15     1.09672   109.70016    51.60863
   16    13 S   C    _CD1    16     1.51816   112.00400   172.06979
   17    16 S   O    _OE1    17     1.22751   123.17143    12.01656
   18    16 S   N    _N2_    18     1.38616   111.79274  -167.91319
   19    18 S   H    _HN2    19     1.01593   119.08036     1.03022
   20    18 S   CT1  _CA2    20     1.46310   123.47778   176.61413
   21    20 S   HC   _HA2    21     1.09743   109.20253     8.13542
   22    20 S   C    _C2_    22     1.53740   109.21050  -107.26638
   23    22 S   O    _O2_    23     1.23078   122.24172  -152.60988
   24    20 S   CT   _CB2    32     1.53274   111.24989   130.02887
   25    24 S   HC   HB21    33     1.09471   109.84319    54.82287
   26    24 S   HC   HB22    34     1.09504   110.61318   173.91952
   27    22 S   N    _N3_    24     1.38335   113.98441    35.14750
   28    27 S   H    _HN3    25     1.01521   119.60295    -3.77398
   29    24 S   S    _SG2    35     1.82840   111.22711   -66.60683
   30    27 S   CT   _CA3    26     1.45277   123.29381   177.00952
   31    30 S   HC   HA31    27     1.09549   107.57641   -63.06786
   32    30 S   HC   HA32    28     1.09554   107.92550    53.38235
   33    29 S   CT   _C8_    36     1.84674    99.17556   171.06919
   34    33 S   HC   _H7_    37     1.09592   106.47390    33.80117
   35    30 S   CO3  _C3_    29     1.52977   114.03820   175.32111
   36    35 S   O2Z  _O31    30     1.26390   116.08695    -0.58215
   37    35 S   O2Z  _O32    31     1.26429   114.42529   179.44680
   38    33 S   CT   _C9_    38     1.54741   110.81576   -83.20180
   39    38 S   HC   _H8_    39     1.09661   108.46822    37.50232
   40    38 S   CT   _C4_    40     1.53990   115.63816   -83.56311
   41    40 S   HC   _H3_    41     1.09632   108.93223  -164.75985
   42    38 S   OS   _O33    70     1.43300   108.72601   153.85087
   43    40 S   CT   _C5_    42     1.53314   114.37917   -43.01334
   44    43 S   HC   _H4_    43     1.09694   109.20528   167.68935
   45    40 S   OH   _O52    68     1.43080   109.31774    78.40447
   46    45 S   HO   _H10    69     0.97253   107.03211    61.76521
   47    42 S   P3   _P1_    71     1.65413   117.99559  -121.36677
   48    47 S   O2Z  _O35    72     1.52461   104.15723  -178.03417
   49    47 S   O2Z  _O36    73     1.52626   104.52964    62.00616
   50    47 S   O2Z  _O34    74     1.52649   104.61819   -58.06799
   51    43 S   CT   _C6_    44     1.53361   110.87303    49.47083
   52    51 S   HC   _H5_    45     1.09739   107.51196    63.23309
   53    43 S   OS   _O48    62     1.42558   110.10470   -73.12366
   54    33 S   CT   _C7_    46     1.54470   109.47677   149.95756
   55    54 S   HC   _H6_    47     1.09722   110.57714   -40.92221
   56    51 S   OS   _O41    53     1.43023   109.76643  -179.74436
   57    53 S   P2   _P5_    63     1.63345   119.67113  -100.99066
   58    57 S   O2Z  _O51    64     1.51391   109.44730    52.50354
   59    57 S   O2Z  _O49    65     1.51230   109.22161  -173.81084
   60    54 S   OS   _O37    48     1.43348   108.53258  -157.80055
   61    56 S   P2   _P3_    54     1.63539   118.03111  -111.09109
   62    61 S   O2Z  _O43    55     1.51589   108.32881   -66.24500
   63    61 S   O2Z  _O42    56     1.51348   109.02672    65.73718
   64    57 S   OS   _O50    66     1.62901    99.67159   -60.61198
   65    64 S   HO   _H9_    67     0.98749   117.86064   -68.60049
   66    60 S   P3   _P2_    49     1.65492   119.00942    99.85512
   67    66 S   O2Z  _O39    50     1.52568   104.03531  -175.21324
   68    66 S   O2Z  _O40    51     1.52541   104.90216    64.95074
   69    66 S   O2Z  _O38    52     1.52634   105.15621   -55.33361
   70    61 S   OS   _O44    57     1.62672    99.91678  -179.09778
   71    70 S   P3   _P4_    58     1.64054   133.13605   -76.11557
   72    71 S   O2Z  _O46    59     1.52680   103.76977   175.29951
   73    71 S   O2Z  _O47    60     1.52451   105.09413    55.44042
   74    71 S   O2Z  _O45    61     1.52519   104.76197   -65.43278
  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  10   5   4   3
  16   8   2   1   1  17   7  13   7   7  15   7   3   1   3   2
   1   1  12   6   7   8   3   6   4   3   2   4   7   3   2   1
   1   3   2   1   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    54    55    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    52    54    55    60    66    56    45    42    47  
   38    39    40    51    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    54    55    60    53    45    46    42    47    48    49    50  
   40    41    43    54    45    42    47  
   41    43    44    51    52    54    56    53    57    45    46    42    47  
   43    44    51    53    45    46    42  
   47    48    49    50    43    45    54  
   44    51    52    54    55    60    56    61    53    57    58    59    64    45    46  
   51    52    54    56    53    57    45  
   46    51    53  
    0  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    60    66    56    61    62    63    70    53    57  
   54    55    60    56    61    53  
   57    58    59    64    65    54    56  
   55    60    66    67    68    69    56    61  
   60    66    56  
   61    62    63    70    71    60  
   58    59    64    65  
   59    64    65  
   64    65  
   66    67    68    69  
   62    63    70    71    72    73    74  
   63    70    71  
   70    71  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    56   320.000  1.410
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    66   230.000  1.630
   66    67   525.000  1.516
   66    68   525.000  1.516
   66    69   525.000  1.516
   56    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   53    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    64   230.000  1.697
   64    65   553.000  0.945
   45    46   553.000  0.945
   42    47   230.000  1.630
   47    48   525.000  1.516
   47    49   525.000  1.516
   47    50   525.000  1.516
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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    51    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    53    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    56    50.00000  109.50000
   43    53    57   100.00000  120.50000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    60    50.00000  109.50000
   51    56    61   100.00000  120.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    60    66    80.00000  112.68000
   60    54    55    35.00000  109.50000
   60    66    67   100.00000  107.00000
   60    66    68   100.00000  107.00000
   60    66    69   100.00000  107.00000
   68    66    67   140.00000  114.00000
   69    66    67   140.00000  114.00000
   69    66    68   140.00000  114.00000
   56    51    52    35.00000  109.50000
   56    51    54    50.00000  109.50000
   56    61    62   100.00000  108.23000
   56    61    63   100.00000  108.23000
   56    61    70    45.00000  102.60000
   61    70    71    45.00000  143.19000
   63    61    62   140.00000  119.90000
   70    61    62   100.00000  108.23000
   70    61    63   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   53    43    44    35.00000  109.50000
   53    43    51    50.00000  109.50000
   53    57    58   100.00000  108.23000
   53    57    59   100.00000  108.23000
   53    57    64    45.00000  102.60000
   57    64    65    45.00000  108.50000
   59    57    58   140.00000  119.90000
   64    57    58   100.00000  108.23000
   64    57    59   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  107.00000
   42    47    49   100.00000  107.00000
   42    47    50   100.00000  107.00000
   49    47    48   140.00000  114.00000
   50    47    48   140.00000  114.00000
   50    47    49   140.00000  114.00000
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    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   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    51   0.44750  1.0 1.0
   29    33    54    51  -0.17800 -1.0 2.0
   29    33    54    51   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    54    60    66  -2.65550  1.0 1.0
   33    54    60    66  -0.22350 -1.0 2.0
   33    54    60    66   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    51   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    60   0.23400  1.0 3.0
   38    33    54    51   0.56750  1.0 1.0
   38    33    54    51  -0.07550 -1.0 2.0
   38    33    54    51   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    60   0.62750  1.0 1.0
   38    33    54    60  -0.30950 -1.0 2.0
   38    33    54    60   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    53   0.62750  1.0 1.0
   38    40    43    53  -0.30950 -1.0 2.0
   38    40    43    53   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    54   0.56750  1.0 1.0
   40    43    51    54  -0.07550 -1.0 2.0
   40    43    51    54   0.20000  1.0 3.0
   40    43    51    56   0.62750  1.0 1.0
   40    43    51    56  -0.30950 -1.0 2.0
   40    43    51    56   0.27300  1.0 3.0
   40    43    53    57  -2.65550  1.0 1.0
   40    43    53    57  -0.22350 -1.0 2.0
   40    43    53    57   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    51   -54    33   0.56750  1.0 1.0
   43    51   -54    33  -0.07550 -1.0 2.0
   43    51   -54    33   0.20000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    60   0.62750  1.0 1.0
   43    51    54    60  -0.30950 -1.0 2.0
   43    51    54    60   0.27300  1.0 3.0
   43    51    56    61  -2.65550  1.0 1.0
   43    51    56    61  -0.22350 -1.0 2.0
   43    51    56    61   0.24150  1.0 3.0
   43    53    57    58   0.00000  1.0 1.0
   43    53    57    59   0.00000  1.0 1.0
   43    53    57    64   0.05050  1.0 1.0
   43    53    57    64  -1.30700 -1.0 2.0
   43    53    57    64   0.91550  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    56   0.23400  1.0 3.0
   44    43    53    57   0.03000  1.0 3.0
   51    43    53    57  -2.65550  1.0 1.0
   51    43    53    57  -0.22350 -1.0 2.0
   51    43    53    57   0.24150  1.0 3.0
   51    54    60    66  -2.65550  1.0 1.0
   51    54    60    66  -0.22350 -1.0 2.0
   51    54    60    66   0.24150  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   51    56    61    70   0.05050  1.0 1.0
   51    56    61    70  -1.30700 -1.0 2.0
   51    56    61    70   0.91550  1.0 3.0
   52    51    54    33   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    60   0.23400  1.0 3.0
   52    51    56    61   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    51    56    61  -2.65550  1.0 1.0
   54    51    56    61  -0.22350 -1.0 2.0
   54    51    56    61   0.24150  1.0 3.0
   54    60    66    67   0.00000  1.0 1.0
   54    60    66    68   0.00000  1.0 1.0
   54    60    66    69   0.00000  1.0 1.0
   55    54    60    66   0.03000  1.0 3.0
   56    51    54    33   0.62750  1.0 1.0
   56    51    54    33  -0.30950 -1.0 2.0
   56    51    54    33   0.27300  1.0 3.0
   56    51    54    55   0.23400  1.0 3.0
   56    51    54    60   1.11900  1.0 1.0
   56    51    54    60  -1.16350 -1.0 2.0
   56    51    54    60  -0.34150  1.0 3.0
   56    61    70    71   0.15000  1.0 3.0
   61    70    71    72   0.50000  1.0 3.0
   61    70    71    73   0.50000  1.0 3.0
   61    70    71    74   0.50000  1.0 3.0
   62    61    70    71   0.50000  1.0 3.0
   63    61    70    71   0.50000  1.0 3.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    54   0.62750  1.0 1.0
   53    43    51    54  -0.30950 -1.0 2.0
   53    43    51    54   0.27300  1.0 3.0
   53    43    51    56   1.11900  1.0 1.0
   53    43    51    56  -1.16350 -1.0 2.0
   53    43    51    56  -0.34150  1.0 3.0
   53    57    64    65   0.00000  1.0 1.0
   58    57    64    65   0.00000  1.0 1.0
   59    57    64    65   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    51   0.86500  1.0 1.0
   45    40    43    51  -0.17500 -1.0 2.0
   45    40    43    51   0.20800  1.0 3.0
   45    40    43    53   3.69350  1.0 1.0
   45    40    43    53  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -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
END
