* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    108    158     317
    1     0 S   NP   _N1_     1    29.24469    94.33424   -23.76430
    2     1 S   H    _HN1     2     1.02789   108.26991   -98.79605
    3     1 S   H    _H1_     3     1.02947    85.13542     8.95644
    4     1 S   H    _H2_     4     1.02832    23.46286   168.32391
    5     1 S   CT   _CA1     5     1.50088   128.17937   121.25487
    6     5 S   HC   _HA1     6     1.09569   105.22777    77.41920
    7     5 S   CO3  _C1_     7     1.53798   112.43067   -42.92887
    8     7 S   O2Z  _O11     8     1.26375   115.00447   -43.79416
    9     7 S   O2Z  _O12     9     1.26232   114.94472   135.43274
   10     5 S   CT   _CB1    10     1.53088   107.46462  -164.51915
   11    10 S   HC   HB11    11     1.09832   109.48824   -49.29894
   12    10 S   HC   HB12    12     1.09813   110.41951    67.34198
   13    10 S   CT   _CG1    13     1.52997   112.53874  -170.22841
   14    13 S   HC   HG11    14     1.09580   110.66866   -64.14261
   15    13 S   HC   HG12    15     1.09665   109.77088    55.08796
   16    13 S   C    _CD1    16     1.51775   112.20172   175.67645
   17    16 S   O    _OE1    17     1.22738   123.24453     8.07635
   18    16 S   N    _N2_    18     1.38620   111.69515  -172.43999
   19    18 S   H    _HN2    19     1.01587   118.97869     1.71498
   20    18 S   CT1  _CA2    20     1.46195   123.45843   178.01791
   21    20 S   HC   _HA2    21     1.09583   109.46008    -0.42244
   22    20 S   C    _C2_    22     1.53494   107.97634  -115.53185
   23    22 S   O    _O2_    23     1.22997   122.46229  -144.33554
   24    20 S   CT   _CB2    32     1.53309   111.79599   122.14227
   25    24 S   HC   HB21    33     1.09664   109.58147    64.45738
   26    24 S   HC   HB22    34     1.09559   110.82991  -178.45566
   27    22 S   N    _N3_    24     1.38413   113.43886    42.56576
   28    27 S   H    _HN3    25     1.01584   119.53161    -2.44457
   29    24 S   S    _SG2    35     1.83044   114.69563   -54.93600
   30    27 S   CT   _CA3    26     1.45283   123.25047   177.46024
   31    30 S   HC   HA31    27     1.09542   107.43858   -67.60661
   32    30 S   HC   HA32    28     1.09557   108.09739    48.87503
   33    29 S   CT   _C9_    36     1.83113   100.35893   -64.53149
   34    33 S   HC   _H7_    37     1.09485   107.79494    61.23287
   35    30 S   CO3  _C3_    29     1.52978   114.03128   171.01766
   36    35 S   O2Z  _O31    30     1.26387   116.07693     1.92549
   37    35 S   O2Z  _O32    31     1.26431   114.44333  -177.98763
   38    33 S   CT   _C8_    38     1.53630   109.77323   179.96044
   39    38 S   HC   _H6_    39     1.09638   111.80975   -57.72500
   40    38 S   CT   _C7_    40     1.53276   109.13855  -179.19351
   41    40 S   HC   _H5_    41     1.09717   109.81914    67.77556
   42    38 S   OH   _O34    59     1.43167   110.44466    61.64761
   43    42 S   HO   _H10    60     0.97318   107.12548   -50.63217
   44    40 S   CT   _C6_    42     1.53320   110.98186   -53.32088
   45    44 S   HC   _H4_    43     1.09673   109.27404   -70.67733
   46    40 S   OH   _O35    57     1.42715   110.48339  -174.87233
   47    46 S   HO   _H11    58     0.97209   107.71888   -51.72696
   48    44 S   CT   _C5_    44     1.53737   110.63690    51.09720
   49    48 S   HC   _H3_    45     1.09849   110.59884    66.50678
   50    44 S   OH   _O36    55     1.42783   109.47023   172.60514
   51    50 S   HO   _H12    56     0.97230   108.12321   -63.14235
   52    33 S   OS   _O33    46     1.42921   111.04326   -58.53322
   53    48 S   CT   _C4_    47     1.52994   111.27105  -173.29788
   54    53 S   HC   _H8_    48     1.09499   110.73355    70.50077
   55    53 S   HC   _H9_    49     1.09403   110.99561   -51.04683
   56    53 S   OS   _O37    50     1.42605   108.73237  -170.97468
   57    56 S   P3   _P1_    51     1.65058   118.08578   166.07808
   58    57 S   O2Z  _O39    52     1.52480   103.64234   175.76677
   59    57 S   O2Z  _O40    53     1.52541   104.59992    55.87931
   60    57 S   O2Z  _O38    54     1.52563   104.39541   -64.59163
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   7   3   2   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    46    42    43  
   38    39    40    48    52    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    53    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    54    55    56    50    51    46    47  
   48    49    52    53    50    51    46  
   47    48    50  
    0  
   49    52    53    54    55    56    57    50    51  
   52    53    54    55    56    50  
   51    52    53  
    0  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.205000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   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    52   320.000  1.410
   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    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   320.000  1.410
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   320.000  1.410
   56    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
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    52    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   44    48    53    58.35000  112.70000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    50.00000  109.50000
   52    33    34    35.00000  109.50000
   52    33    38    50.00000  109.50000
   52    48    49    35.00000  109.50000
   53    48    49    37.50000  110.70000
   53    48    52    50.00000  109.50000
   53    56    57    80.00000  112.68000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58   100.00000  107.00000
   56    57    59   100.00000  107.00000
   56    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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    52    48   0.14700  1.0 1.0
   29    33    52    48  -1.16150 -1.0 2.0
   29    33    52    48   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  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    52    48   0.37050  1.0 3.0
   38    33    52    48   0.06250  1.0 1.0
   38    33    52    48  -0.01100 -1.0 2.0
   38    33    52    48   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.62750  1.0 1.0
   40    44    48    52  -0.30950 -1.0 2.0
   40    44    48    52   0.27300  1.0 3.0
   40    44    48    53   0.56750  1.0 1.0
   40    44    48    53  -0.07550 -1.0 2.0
   40    44    48    53   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.06250  1.0 1.0
   44    48   -52    33  -0.01100 -1.0 2.0
   44    48   -52    33   0.28050  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   0.62750  1.0 1.0
   44    48    53    56  -0.30950 -1.0 2.0
   44    48    53    56   0.27300  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    53    56    57  -2.65550  1.0 1.0
   48    53    56    57  -0.22350 -1.0 2.0
   48    53    56    57   0.24150  1.0 3.0
   49    48    52    33   0.37050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.23400  1.0 3.0
   52    33    38    39   0.23400  1.0 3.0
   52    33   -38    40   0.62750  1.0 1.0
   52    33   -38    40  -0.30950 -1.0 2.0
   52    33   -38    40   0.27300  1.0 3.0
   52    33    38    42   3.69350  1.0 1.0
   52    33    38    42  -1.82950 -1.0 2.0
   52    48    53    54   0.23400  1.0 3.0
   52    48    53    55   0.23400  1.0 3.0
   52    48    53    56   1.11900  1.0 1.0
   52    48    53    56  -1.16350 -1.0 2.0
   52    48    53    56  -0.34150  1.0 3.0
   53    48    52    33   0.06250  1.0 1.0
   53    48    52    33  -0.01100 -1.0 2.0
   53    48    52    33   0.28050  1.0 3.0
   53    56    57    58   0.00000  1.0 1.0
   53    56    57    59   0.00000  1.0 1.0
   53    56    57    60   0.00000  1.0 1.0
   54    53    56    57   0.03000  1.0 3.0
   55    53    56    57   0.03000  1.0 3.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   3.69350  1.0 1.0
   50    44    48    52  -1.82950 -1.0 2.0
   50    44    48    53   0.86500  1.0 1.0
   50    44    48    53  -0.17500 -1.0 2.0
   50    44    48    53   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
