* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    101    154     297
    1     0 S   NP   _N1_     1    29.13407    94.15096   -23.86463
    2     1 S   H    _HN1     2     1.02951    82.57898    20.00160
    3     1 S   H    _H1_     3     1.02830    25.52867  -176.25278
    4     1 S   H    _H2_     4     1.02783   110.18946   -86.87941
    5     1 S   CT   _CA1     5     1.50104   128.00611   130.16241
    6     5 S   HC   _HA1     6     1.09572   105.22247    81.00189
    7     5 S   CO3  _C1_     7     1.53796   112.41661   -39.27261
    8     7 S   O2Z  _O11     8     1.26370   115.00918   -43.69842
    9     7 S   O2Z  _O12     9     1.26237   114.94358   135.49112
   10     5 S   CT   _CB1    10     1.53091   107.43463  -161.01163
   11    10 S   HC   HB11    11     1.09829   109.41162   -49.92984
   12    10 S   HC   HB12    12     1.09814   110.43095    66.67936
   13    10 S   CT   _CG1    13     1.52988   112.58711  -170.92450
   14    13 S   HC   HG11    14     1.09586   110.58718   -64.42865
   15    13 S   HC   HG12    15     1.09667   109.83634    54.79353
   16    13 S   C    _CD1    16     1.51798   112.28321   175.25839
   17    16 S   O    _OE1    17     1.22730   123.31597     4.58996
   18    16 S   N    _N2_    18     1.38654   111.64096  -175.63480
   19    18 S   H    _HN2    19     1.01600   118.95634     1.62438
   20    18 S   CT1  _CA2    20     1.46138   123.34040   177.86485
   21    20 S   HC   _HA2    21     1.09754   109.35320    -2.58255
   22    20 S   C    _C2_    22     1.53472   108.65892  -117.95700
   23    22 S   O    _O2_    23     1.23046   122.28350  -148.72222
   24    20 S   CT   _CB2    32     1.53241   111.64666   119.39072
   25    24 S   HC   HB21    33     1.09605   110.49960    55.67045
   26    24 S   HC   HB22    34     1.09538   110.05437   174.46523
   27    22 S   N    _N3_    24     1.38329   113.61354    38.80509
   28    27 S   H    _HN3    25     1.01612   119.55216    -3.52997
   29    24 S   S    _SG2    35     1.82362   111.64415   -65.53355
   30    27 S   CT   _CA3    26     1.45282   123.16677   176.96836
   31    30 S   HC   HA31    27     1.09551   107.52697   -64.03062
   32    30 S   HC   HA32    28     1.09558   107.95843    52.39239
   33    29 S   CO4  _C12    36     1.76359    99.61462  -170.37281
   34    33 S   O    _O33    37     1.22591   122.38955   -31.43377
   35    30 S   CO3  _C3_    29     1.52944   114.10239   174.38368
   36    35 S   O2Z  _O31    30     1.26372   116.06335    -0.48779
   37    35 S   O2Z  _O32    31     1.26429   114.41160   179.57204
   38    33 S   CT1  _C11    38     1.52035   114.51883   148.83493
   39    38 S   HC   _H3_    39     1.09491   111.38348    22.50614
   40    38 S   CT   _C10    40     1.53434   111.51502  -103.50408
   41    40 S   HC   _H8_    41     1.09829   110.22790  -170.88100
   42    40 S   HC   _H9_    42     1.09836   110.23015   -54.52924
   43    38 S   NP   _N4_    55     1.50047   108.76102   137.84299
   44    43 S   H    _H10    56     1.02884   111.77837   179.56749
   45    43 S   H    _H11    57     1.02988   111.44096    58.93071
   46    43 S   H    _H12    58     1.02921   111.24260   -60.56992
   47    40 S   CA   _C9_    43     1.50981   112.93260    68.22684
   48    47 S   CA   _C4_    44     1.40256   120.43057  -105.38578
   49    48 S   HA   _H4_    45     1.08742   120.52649    -1.10305
   50    48 S   CA   _C5_    46     1.39517   120.48548   178.25168
   51    50 S   HA   _H5_    47     1.08635   119.88197  -179.61948
   52    50 S   CA   _C6_    48     1.39128   119.61737     0.19979
   53    52 S   CA   _C7_    49     1.39252   120.76955     0.11191
   54    53 S   HA   _H6_    50     1.08608   120.95863   179.95154
   55    52 S   OH   _O34    53     1.36607   118.16081  -179.87967
   56    55 S   HO   _H13    54     0.97240   108.62173   179.55589
   57    47 S   CA   _C8_    51     1.40260   120.47372    73.27485
   58    57 S   HA   _H7_    52     1.08733   120.40206     1.39269
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
  11   4   2   1   1  11   8  13   5   4   4   2   1   1   9   8
   4   7   3   6   5   3   2   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    47    43    44    45    46  
   38    39    40    43  
   36    37  
   37  
    0  
   39    40    41    42    47    48    57    43    44    45    46  
   40    41    42    47    43    44    45    46  
   41    42    47    48    49    50    53    57    58    43    44    45    46  
   42    47    48    57    43  
   47    48    57    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    57    58  
   49    50    51    52    53    57    58    55  
   50    51    52    57  
   51    52    53    54    57    55    56  
   52    53    55  
   53    54    57    58    55    56  
   54    57    58    55    56  
   57    58    55  
   56    57  
    0  
   58  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   210.000  1.799
   33    34   570.000  1.229
   33    38   255.000  1.522
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   367.000  1.471
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   317.000  1.510
   47    48   469.000  1.400
   47    57   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   450.000  1.364
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   55    56   553.000  0.945
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    46   434.000  1.010
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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    45.00000  110.09800
   33    38    40    70.00000  110.61500
   33    38    43    85.00000  107.27000
   38    33    34    75.00000  123.42600
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    47    63.00000  114.00000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   40    38    39    37.50000  110.70000
   40    47    48    70.00000  120.00000
   40    47    57    70.00000  120.00000
   42    40    41    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    42    35.00000  109.50000
   47    48    49    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    57    53    63.00000  120.00000
   47    57    58    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    57    63.00000  120.00000
   52    55    56    35.00000  113.00000
   53    57    58    35.00000  120.00000
   57    47    48    63.00000  120.00000
   57    53    54    35.00000  120.00000
   55    52    53    70.00000  120.00000
   43    38    39    35.00000  109.50000
   43    38    40    80.00000  111.20000
   45    43    44    35.00000  109.50000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    43   0.00000  1.0 1.0
   33    38    40    41  -0.03800  1.0 3.0
   33    38    40    42  -0.03800  1.0 3.0
   33    38    40    47  -0.84850  1.0 1.0
   33    38    40    47  -0.22800 -1.0 2.0
   33    38    40    47   0.29250  1.0 3.0
   33    38    43    44   0.17350  1.0 3.0
   33    38    43    45   0.17350  1.0 3.0
   33    38    43    46   0.17350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   38    40    47    48   0.00000  1.0 1.0
   38    40    47    57   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    47   0.23100  1.0 3.0
   39    38    43    44   0.13050  1.0 3.0
   39    38    43    45   0.13050  1.0 3.0
   39    38    43    46   0.13050  1.0 3.0
   40    38    43    44   0.17350  1.0 3.0
   40    38    43    45   0.17350  1.0 3.0
   40    38    43    46   0.17350  1.0 3.0
   40    47    48    49   3.62500 -1.0 2.0
   40    47    48    50   3.62500 -1.0 2.0
   40    47    57    53   3.62500 -1.0 2.0
   40    47    57    58   3.62500 -1.0 2.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    57   0.00000  1.0 1.0
   42    40    47    48   0.00000  1.0 1.0
   42    40    47    57   0.00000  1.0 1.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    52   3.62500 -1.0 2.0
   48    47    57    53   3.62500 -1.0 2.0
   48    47    57    58   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    57   3.62500 -1.0 2.0
   50    52    55    56   0.84100 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53   -57    47   3.62500 -1.0 2.0
   52    53    57    58   3.62500 -1.0 2.0
   53    52    55    56   0.84100 -1.0 2.0
   54    53    57    47   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   57    47    48    49   3.62500 -1.0 2.0
   57    47   -48    50   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    57   3.62500 -1.0 2.0
   43    38    40    41   0.23200  1.0 3.0
   43    38    40    42   0.23200  1.0 3.0
   43    38    40    47   0.42250  1.0 1.0
   43    38    40    47  -0.48100 -1.0 2.0
   43    38    40    47   0.35650  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
   29    38    33    34  10.50000 -1.0 2.0
   48    57    47    40   4.00000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   57    54    53    52   1.10000 -1.0 2.0
   53    58    57    47   1.10000 -1.0 2.0
END
