* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    113    160     324
    1     0 S   NP   _N1_     1    28.26317    95.10738   -23.41895
    2     1 S   H    _HN1     2     1.02957    81.42920     3.03648
    3     1 S   H    _H1_     3     1.02835    27.93664   159.55139
    4     1 S   H    _H2_     4     1.02776   106.71141  -103.63963
    5     1 S   CT   _CA1     5     1.50132   132.10854   112.83279
    6     5 S   HC   _HA1     6     1.09574   105.21173    80.56882
    7     5 S   CO3  _C1_     7     1.53784   112.35966   -39.61974
    8     7 S   O2Z  _O11     8     1.26367   114.99561   -43.83943
    9     7 S   O2Z  _O12     9     1.26235   114.93260   135.24306
   10     5 S   CT   _CB1    10     1.53094   107.41881  -161.52039
   11    10 S   HC   HB11    11     1.09828   109.32829   -50.40868
   12    10 S   HC   HB12    12     1.09816   110.42828    66.14569
   13    10 S   CT   _CG1    13     1.53022   112.67883  -171.47170
   14    13 S   HC   HG11    14     1.09593   110.49962   -64.54817
   15    13 S   HC   HG12    15     1.09658   109.90678    54.65406
   16    13 S   C    _CD1    16     1.51849   112.30448   175.02531
   17    16 S   O    _OE1    17     1.22754   123.25313     0.92281
   18    16 S   N    _N2_    18     1.38550   111.70106  -179.06414
   19    18 S   H    _HN2    19     1.01548   119.06342     4.31824
   20    18 S   CT1  _CA2    20     1.45808   122.91112   177.98171
   21    20 S   HC   _HA2    21     1.09756   108.88924    24.68373
   22    20 S   C    _C2_    22     1.53035   107.51415   -92.00279
   23    22 S   O    _O2_    23     1.22979   123.14248   -21.95858
   24    20 S   CT   _CB2    32     1.53194   112.14723   147.82406
   25    24 S   HC   HB21    33     1.09556   110.54971    52.26203
   26    24 S   HC   HB22    34     1.09223   109.17339   171.00239
   27    22 S   N    _N3_    24     1.38627   112.51214   160.45173
   28    27 S   H    _HN3    25     1.01728   120.25228    -2.15013
   29    24 S   S    _SG2    35     1.82534   110.99255   -68.68660
   30    27 S   CT   _CA3    26     1.45331   122.45197   178.23519
   31    30 S   HC   HA31    27     1.09574   107.94246   -51.70452
   32    30 S   HC   HA32    28     1.09560   107.44465    64.58090
   33    29 S   CT   _C7_    36     1.85197   100.40613  -172.57952
   34    33 S   Cl   Cl1_    37     1.81914   105.59358  -176.04265
   35    30 S   CO3  _C3_    29     1.52883   114.51575  -173.75575
   36    35 S   O2Z  _O31    30     1.26297   116.19459    -0.48335
   37    35 S   O2Z  _O32    31     1.26467   114.36091   179.49448
   38    33 S   NI   _N5_    38     1.45861   116.26837   -60.10565
   39    38 S   CDX  _C6_    39     1.29351   117.65459   110.12683
   40    39 S   NI   _N7_    40     1.37425   121.61479    -0.04846
   41    39 S   NE   _N4_    56     1.37889   121.95741  -179.44362
   42    41 S   H    _H8_    57     1.01495   117.32904   179.94766
   43    40 S   CDX  _C8_    41     1.30011   120.21751    11.58874
   44    41 S   CT   _C5_    58     1.44699   124.60374    -0.18663
   45    44 S   HC   _H6_    59     1.09547   109.82947   -59.51653
   46    44 S   HC   _H7_    60     1.09550   109.82457    59.19794
   47    33 S   NM   _N6_    42     1.45139   109.76444    73.28387
   48    43 S   NE   _N8_    43     1.38054   120.61940   179.92867
   49    48 S   H    _H9_    44     1.01687   114.24893    -2.10292
   50    44 S   CT   _C4_    61     1.51846   110.27059   179.82641
   51    50 S   HC   _H3_    62     1.09521   111.01341   -59.92894
   52    50 S   HC   _H4_    63     1.09521   111.01523    59.95973
   53    50 S   HC   _H5_    64     1.09432   110.41771  -179.97202
   54    48 S   CT   _C9_    45     1.46565   130.77396   173.79101
   55    54 S   CZ   _C12    46     1.48047   111.84102   -53.75869
   56    55 S   NZ   _N9_    47     1.16133   179.18387  -153.98907
   57    54 S   CT   _C10    48     1.54192   107.47970  -172.15470
   58    57 S   HC   _H10    49     1.09656   111.25334   -59.98278
   59    57 S   HC   _H11    50     1.09696   111.29479    59.56183
   60    57 S   HC   _H12    51     1.09660   111.54551   179.50981
   61    54 S   CT   _C11    52     1.53446   110.39855    70.06407
   62    61 S   HC   _H13    53     1.09630   111.16713    53.16886
   63    61 S   HC   _H14    54     1.09500   112.45165   -67.24595
   64    61 S   HC   _H15    55     1.09680   111.17361   173.30827
  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   6   5   4   3
   8   4   2   1   1   7  10   8   9   4   7   6   5   4   3  12
   4   3   2   1   1  10   9   2   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    41  
   38    39    43    47  
   36    37  
   37  
    0  
   39    40    43    47    41    42    44  
   40    43    47    48    41    42    44    45    46    50  
   43    47    48    49    54    41    42    44  
   42    44    45    46    50    51    52    53    43  
   44    45    46    50  
   47    48    49    54    55    57    61  
   45    46    50    51    52    53  
   46    50    51    52    53  
   50    51    52    53  
   48    49    54  
   49    54    55    56    57    58    59    60    61    62    63    64  
   54    55    57    61  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62    63    64  
   56    57    58    59    60    61    62    63    64  
   57    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.452500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   39   3.7500   0.1050   0.693000   2.1120   1.8750   0.001000000  -0.126889456
   40   3.2800   0.1700  -0.718000   1.8540   1.6400   0.005000000   0.000000000
   41   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   42   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.4200   0.1700  -1.245000   1.9310   1.7100   0.005000000   0.000000000
   48   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.3000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   55   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   56   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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   245.000  1.781
   33    38   315.000  1.435
   33    47   320.000  1.444
   38    39   650.000  1.285
   39    40   630.000  1.388
   39    41   445.000  1.380
   40    43   650.000  1.285
   43    47   430.000  1.365
   43    48   445.000  1.380
   48    49   434.000  1.010
   48    54   382.000  1.448
   54    55   390.000  1.470
   54    57   268.000  1.529
   54    61   268.000  1.529
   55    56   650.000  1.157
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    42   434.000  1.010
   41    44   382.000  1.448
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    85.00000  110.65400
   29    33    38    75.00000  111.34000
   29    33    47    85.00000  109.00000
   33    38    39    75.00000  112.28000
   33    47    43    70.00000  118.22000
   38    33    34    85.00000  105.00000
   38    39    40    75.00000  130.08800
   38    39    41    75.00000  124.36500
   39    40    43    80.00000  112.53000
   39    41    42    35.00000  119.50000
   39    41    44    50.00000  119.50000
   40    43    47    75.00000  125.50000
   40    43    48    75.00000  124.36500
   43    48    49    35.00000  119.50000
   43    48    54    50.00000  119.50000
   47    33    34    85.00000  105.00000
   47    33    38    85.00000  109.00000
   48    43    47    80.00000  117.43000
   48    54    55    80.00000  110.69000
   48    54    57    80.00000  111.61500
   48    54    61    80.00000  111.61500
   54    48    49    35.00000  112.50000
   54    55    56   150.00000  180.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    55    58.35000  112.70000
   61    54    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    39    40    75.00000  124.36500
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    50    80.00000  111.61500
   44    41    42    35.00000  112.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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  -0.12500  1.0 1.0
   29    33    38    39  -0.12500 -1.0 2.0
   29    33    38    39   0.25000  1.0 3.0
   29    33    47    43   0.00000  1.0 1.0
   33    38    39    40   6.00000 -1.0 2.0
   33    38    39    41   0.32050  1.0 1.0
   33    38    39    41   8.28000 -1.0 2.0
   34    33    38    39  -0.12500  1.0 1.0
   34    33    38    39  -0.12500 -1.0 2.0
   34    33    38    39   0.25000  1.0 3.0
   34    33    47    43   0.00000  1.0 1.0
   38    33    47    43   0.00000  1.0 1.0
   38    39   -40    43   0.00050  1.0 1.0
   38    39   -40    43   2.00000 -1.0 2.0
   38    39    41    42   1.50000 -1.0 2.0
   38    39    41    44  -0.86000  1.0 1.0
   38    39    41    44   0.84650 -1.0 2.0
   39    40    43    47   6.00000 -1.0 2.0
   39    40    43    48   6.00000 -1.0 2.0
   39    41    44    45   0.00000  1.0 1.0
   39    41    44    46   0.00000  1.0 1.0
   39    41    44    50   0.38950  1.0 1.0
   39    41    44    50  -0.47050 -1.0 2.0
   39    41    44    50   0.83150  1.0 3.0
   40    39    41    42   1.50000 -1.0 2.0
   40    39    41    44  -0.86000  1.0 1.0
   40    39    41    44   0.84650 -1.0 2.0
   40    43   -47    33   0.00000  1.0 1.0
   40    43    48    49   1.50000 -1.0 2.0
   40    43    48    54  -0.86000  1.0 1.0
   40    43    48    54   0.84650 -1.0 2.0
   43    48    54    55  -0.12500  1.0 1.0
   43    48    54    55  -0.12500 -1.0 2.0
   43    48    54    55   0.25000  1.0 3.0
   43    48    54    57   0.38950  1.0 1.0
   43    48    54    57  -0.47050 -1.0 2.0
   43    48    54    57   0.83150  1.0 3.0
   43    48    54    61   0.38950  1.0 1.0
   43    48    54    61  -0.47050 -1.0 2.0
   43    48    54    61   0.83150  1.0 3.0
   47    33   -38    39  -0.12500  1.0 1.0
   47    33   -38    39  -0.12500 -1.0 2.0
   47    33   -38    39   0.25000  1.0 3.0
   47    43    48    49   1.00000 -1.0 2.0
   47    43    48    54   1.00000 -1.0 2.0
   48    43    47    33   0.00000  1.0 1.0
   48    54    55    56   0.00000  1.0 1.0
   48    54    57    58   0.22950  1.0 3.0
   48    54    57    59   0.22950  1.0 3.0
   48    54    57    60   0.22950  1.0 3.0
   48    54    61    62   0.22950  1.0 3.0
   48    54    61    63   0.22950  1.0 3.0
   48    54    61    64   0.22950  1.0 3.0
   49    48    54    55  -0.12500  1.0 1.0
   49    48    54    55  -0.12500 -1.0 2.0
   49    48    54    55   0.25000  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   49    48    54    61   0.00000  1.0 1.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   57    54    55    56   0.00000  1.0 1.0
   57    54    61    62   0.15000  1.0 3.0
   57    54    61    63   0.15000  1.0 3.0
   57    54    61    64   0.15000  1.0 3.0
   61    54    55    56   0.00000  1.0 1.0
   61    54    57    58   0.15000  1.0 3.0
   61    54    57    59   0.15000  1.0 3.0
   61    54    57    60   0.15000  1.0 3.0
   41    39    40    43   0.00050  1.0 1.0
   41    39    40    43   2.00000 -1.0 2.0
   41    44    50    51   0.22950  1.0 3.0
   41    44    50    52   0.22950  1.0 3.0
   41    44    50    53   0.22950  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    50   0.00000  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   40    41    39    38  10.50000 -1.0 2.0
   47    48    43    40  10.50000 -1.0 2.0
   49    43    48    54   1.00000 -1.0 2.0
   42    39    41    44   1.00000 -1.0 2.0
END
