* LIGAND DATABASE FILE (OPLS2005)
*
001      53    52     89    133     263
    1     0 S   NP   _N1_     1    28.09206    96.34425   -22.25488
    2     1 S   H    _HN1     2     1.02835    34.76635   138.58941
    3     1 S   H    _H1_     3     1.02776   100.41987  -114.96928
    4     1 S   H    _H2_     4     1.02957    77.80837    -8.25150
    5     1 S   CT   _CA1     5     1.50134   140.50466    99.08900
    6     5 S   HC   _HA1     6     1.09575   105.20717    81.98960
    7     5 S   CO3  _C1_     7     1.53783   112.37905   -38.18874
    8     7 S   O2Z  _O11     8     1.26367   114.99133   -43.32265
    9     7 S   O2Z  _O12     9     1.26236   114.93339   135.75800
   10     5 S   CT   _CB1    10     1.53094   107.41891  -160.09630
   11    10 S   HC   HB11    11     1.09827   109.32091   -50.40420
   12    10 S   HC   HB12    12     1.09815   110.42892    66.15142
   13    10 S   CT   _CG1    13     1.53018   112.67950  -171.47196
   14    13 S   HC   HG11    14     1.09593   110.49875   -64.76360
   15    13 S   HC   HG12    15     1.09658   109.90736    54.43937
   16    13 S   C    _CD1    16     1.51842   112.31474   174.80589
   17    16 S   O    _OE1    17     1.22749   123.28668     1.00639
   18    16 S   N    _N2_    18     1.38553   111.71058  -178.98374
   19    18 S   H    _HN2    19     1.01553   119.06409     4.18858
   20    18 S   CT1  _CA2    20     1.45872   122.88875   177.90594
   21    20 S   HC   _HA2    21     1.09711   108.95176    24.79900
   22    20 S   C    _C2_    22     1.52900   106.71495   -92.46610
   23    22 S   O    _O2_    23     1.23016   122.90861   -29.26831
   24    20 S   CT   _CB2    32     1.53149   112.26662   148.06435
   25    24 S   HC   HB21    33     1.09604   110.14588    55.71701
   26    24 S   HC   HB22    34     1.09478   109.92704   174.54720
   27    22 S   N    _N3_    24     1.38479   112.77021   153.47507
   28    27 S   H    _HN3    25     1.01680   120.41083    -1.61544
   29    24 S   S    _SG2    35     1.82701   111.21871   -64.93429
   30    27 S   CT   _CA3    26     1.45370   122.27698   178.68419
   31    30 S   HC   HA31    27     1.09573   107.55270   -60.44116
   32    30 S   HC   HA32    28     1.09571   107.80775    55.81302
   33    29 S   CT   _C9_    36     1.84907    99.59361   173.05788
   34    33 S   HC   _H3_    37     1.09758   104.46313   -49.64625
   35    30 S   CO3  _C3_    29     1.52850   114.52888   177.70049
   36    35 S   O2Z  _O31    30     1.26300   116.11692    -3.17237
   37    35 S   O2Z  _O32    31     1.26457   114.37620   176.89052
   38    33 S   CM   _C5_    38     1.51941   110.30583    68.81392
   39    33 S   CT   _C10    47     1.54267   109.88543  -165.02923
   40    39 S   HC   _H18    48     1.09617   111.35313   -59.24668
   41    38 S   CM   _C4_    39     1.34458   121.17002  -121.85713
   42    41 S   HC   _H16    40     1.08774   118.60287     0.67897
   43    38 S   CO3  _C6_    44     1.53851   118.48550    58.01284
   44    43 S   O2Z  _O8_    45     1.26304   115.14197    80.29275
   45    43 S   O2Z  _O10    46     1.26486   114.95788   -99.28363
   46    39 S   CO3  _C8_    49     1.54334   112.62953   176.98306
   47    46 S   O2Z  _O9_    50     1.26357   115.12664   136.86834
   48    46 S   O2Z  _O34    51     1.26502   115.44198   -45.07190
   49    39 S   OH   _O13    52     1.43586   109.93850    59.43029
   50    49 S   HO   _H19    53     0.97338   107.23030    64.16120
   51    41 S   C    _C7_    41     1.49899   127.08234  -178.70865
   52    51 S   O    _O33    42     1.22647   121.69203     7.04002
   53    51 S   Cl   CL15    43     1.75641   115.06736  -173.71640
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  12   8   5   7   4   3   1   1   4   2   1
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    51    43    44    45    39    40    46    47    48    49    50  
   38    41    43    39    40    46    49  
   36    37  
   37  
    0  
   41    42    51    52    53    43    44    45    39    40    46    49  
   40    46    47    48    49    50    41    43  
   46    47    48    49    50  
   42    51    52    53    43    44    45  
   51    52    53    43  
   44    45    51  
   45  
    0  
   47    48    49    50  
   48    49  
   49  
   50  
    0  
   52    53  
   53  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.375000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   53   3.4000   0.3000  -0.152500   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    43   230.000  1.545
   41    42   340.000  1.080
   41    51   410.000  1.444
   51    52   570.000  1.229
   51    53   180.000  1.815
   43    44   656.000  1.250
   43    45   656.000  1.250
   39    40   340.000  1.090
   39    46   317.000  1.522
   39    49   320.000  1.410
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.04000
   33    39    40    37.50000  110.70000
   33    39    46    70.00000  109.69300
   33    39    49    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    51    70.00000  118.70000
   38    43    44    85.00000  113.83300
   38    43    45    85.00000  113.83300
   41    51    52    80.00000  125.30000
   41    51    53    75.00000  119.00000
   51    41    42    35.00000  119.70000
   53    51    52    80.00000  119.42700
   43    38    41    55.00000  124.75400
   45    43    44    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    46    47    70.00000  117.00000
   39    46    48    70.00000  117.00000
   39    49    50    55.00000  108.50000
   46    39    40    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    39    40    35.00000  109.50000
   49    39    46    95.00000  109.52300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    39    49   0.56750  1.0 1.0
   29    33    39    49  -0.07550 -1.0 2.0
   29    33    39    49   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    45  -0.64400  1.0 1.0
   33    38    43    45   0.26850 -1.0 2.0
   33    39    46    47   0.41150 -1.0 2.0
   33    39    46    48   0.41150 -1.0 2.0
   33    39    49    50  -0.11600  1.0 1.0
   33    39    49    50  -0.09450 -1.0 2.0
   33    39    49    50   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    46  -0.11250  1.0 3.0
   34    33    39    49   0.23400  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    46  -0.98800  1.0 1.0
   38    33    39    46   0.48800 -1.0 2.0
   38    33    39    46   0.76800  1.0 3.0
   38    33    39    49   1.05650  1.0 1.0
   38    33    39    49   0.15600 -1.0 2.0
   38    33    39    49   0.53150  1.0 3.0
   38    41    51    52   1.00000 -1.0 2.0
   38    41    51    53   0.50400  1.0 1.0
   38    41    51    53   1.60000 -1.0 2.0
   38    41    51    53  -0.01800  1.0 3.0
   41    38    43    44  -0.04000 -1.0 2.0
   41    38    43    44  -0.29050  1.0 3.0
   41    38    43    45  -0.04000 -1.0 2.0
   41    38    43    45  -0.29050  1.0 3.0
   42    41    51    52   0.00000  1.0 1.0
   42    41    51    53   0.92800 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    51   7.00000 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.00000  1.0 1.0
   40    39    49    50   0.19450  1.0 3.0
   46    39    49    50   0.91850  1.0 1.0
   46    39    49    50   0.57950  1.0 3.0
   49    39    46    47   0.30150 -1.0 2.0
   49    39    46    48   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   51    42    41    38  15.00000 -1.0 2.0
   41    53    51    52  10.50000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
   47    39    46    48  10.50000 -1.0 2.0
END
