* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     93    140     273
    1     0 S   NP   _N1_     1    28.00068    95.76312   -23.58953
    2     1 S   H    _HN1     2     1.02957    83.00193    -7.41182
    3     1 S   H    _H1_     3     1.02835    26.34994   148.65340
    4     1 S   H    _H2_     4     1.02777   106.63184  -114.51099
    5     1 S   CT   _CA1     5     1.50146   131.19859   103.63893
    6     5 S   HC   _HA1     6     1.09576   105.19354    78.84939
    7     5 S   CO3  _C1_     7     1.53765   112.28917   -41.30571
    8     7 S   O2Z  _O11     8     1.26369   114.98898   -45.04376
    9     7 S   O2Z  _O12     9     1.26224   114.91711   133.87836
   10     5 S   CT   _CB1    10     1.53076   107.40136  -163.28462
   11    10 S   HC   HB11    11     1.09832   109.28546   -50.34823
   12    10 S   HC   HB12    12     1.09814   110.45683    66.18267
   13    10 S   CT   _CG1    13     1.53045   112.71417  -171.38977
   14    13 S   HC   HG11    14     1.09589   110.55315   -65.44823
   15    13 S   HC   HG12    15     1.09659   109.87719    53.78529
   16    13 S   C    _CD1    16     1.51854   112.17239   174.12837
   17    16 S   O    _OE1    17     1.22776   123.23719     3.51168
   18    16 S   N    _N2_    18     1.38561   111.85408  -176.47808
   19    18 S   H    _HN2    19     1.01575   119.17112     3.42085
   20    18 S   CT1  _CA2    20     1.45832   122.71456   177.54553
   21    20 S   HC   _HA2    21     1.09733   108.79786    27.03777
   22    20 S   C    _C2_    22     1.52947   106.99168   -90.01915
   23    22 S   O    _O2_    23     1.22984   123.06100   -27.84116
   24    20 S   CT   _CB2    32     1.53160   112.41654   150.22340
   25    24 S   HC   HB21    33     1.09605   110.24118    54.55390
   26    24 S   HC   HB22    34     1.09448   110.06057   173.38992
   27    22 S   N    _N3_    24     1.38506   112.58039   154.81997
   28    27 S   H    _HN3    25     1.01657   120.36769    -2.11933
   29    24 S   S    _SG2    35     1.82515   111.23211   -65.98162
   30    27 S   CT   _CA3    26     1.45347   122.43492   178.57701
   31    30 S   HC   HA31    27     1.09570   107.69342   -57.57431
   32    30 S   HC   HA32    28     1.09563   107.71255    58.73687
   33    29 S   CT   _C9_    36     1.84881    99.19393   179.10038
   34    33 S   HC   _H3_    37     1.09498   107.85274   -37.20581
   35    30 S   CO3  _C3_    29     1.52876   114.36255  -179.51141
   36    35 S   O2Z  _O31    30     1.26326   116.07902    -3.43211
   37    35 S   O2Z  _O32    31     1.26441   114.40205   176.61407
   38    33 S   CM   _C5_    38     1.51089   107.33912  -155.49409
   39    38 S   CM   _C4_    39     1.34325   120.66285  -106.17683
   40    39 S   HC   _H15    40     1.08655   120.67544  -177.01181
   41    38 S   CO3  _C6_    51     1.54732   119.62806    76.75209
   42    41 S   O2Z  _O8_    52     1.26538   115.32393    20.21345
   43    41 S   O2Z  _O10    53     1.26523   116.10586  -159.49435
   44    39 S   CO   _C8_    41     1.50011   122.78812     1.73641
   45    44 S   HC   _H16    42     1.09602   109.25257  -110.23036
   46    44 S   OS   _O34    43     1.42828   113.01515    12.10149
   47    44 S   OH   _O13    49     1.42451   107.70929   132.95212
   48    47 S   HO   _H19    50     0.97159   106.38585   155.93819
   49    33 S   CT   _C10    44     1.54069   110.36220    82.67712
   50    49 S   HC   _H18    45     1.09743   109.50022   -42.26968
   51    49 S   CO3  _C7_    46     1.54570   117.25088  -160.09734
   52    51 S   O2Z  _O9_    47     1.26593   114.78772  -176.47708
   53    51 S   O2Z  _O33    48     1.26208   116.29000     4.39503
  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
  14   7   2   1   1  12  10   5   4   1   1   7   4   7   2   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    49    50    51    52    53    41    42    43  
   38    39    46    49    50    51    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    51    47    41    42    43  
   40    44    45    46    49    47    48    41    42    43  
   44    45    46    47    41  
   42    43    44    49  
   43  
    0  
   45    46    49    50    51    47    48  
   46    49    47    48  
   49    50    51    52    53    47    48  
   48    49  
    0  
   50    51    52    53  
   51    52    53  
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   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   317.000  1.510
   33    49   268.000  1.529
   38    39   549.000  1.340
   38    41   230.000  1.545
   39    40   340.000  1.080
   39    44   317.000  1.510
   44    45   340.000  1.090
   44    46   320.000  1.380
   44    47   380.000  1.407
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
   47    48   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
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    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.04000
   33    49    46    50.00000  109.50000
   33    49    50    37.50000  110.70000
   33    49    51    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  124.00000
   38    41    42    85.00000  113.83300
   38    41    43    85.00000  113.83300
   39    44    45    35.00000  109.50000
   39    44    46    85.00000  110.90400
   39    44    47    90.00000  110.39200
   44    39    40    35.00000  117.00000
   44    46    49    60.00000  109.50000
   44    47    48    70.00000  107.92000
   46    44    45    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    85.00000  109.63000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    51    52    70.00000  117.00000
   49    51    53    70.00000  117.00000
   51    49    50    35.00000  109.50000
   53    51    52    80.00000  126.00000
   47    44    45    60.00000  108.02500
   47    44    46   110.00000  112.08000
   41    38    39    55.00000  124.75400
   43    41    42    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.56750  1.0 1.0
   29    33    49    51  -0.07550 -1.0 2.0
   29    33    49    51   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    43  -0.64400  1.0 1.0
   33    38    41    43   0.26850 -1.0 2.0
   33    49    51    52   0.41150 -1.0 2.0
   33    49    51    53   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.23400  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51  -0.11250  1.0 3.0
   38    33    49    46   0.61850  1.0 1.0
   38    33    49    46  -0.22750 -1.0 2.0
   38    33    49    46   0.15300  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51  -0.98800  1.0 1.0
   38    33    49    51   0.48800 -1.0 2.0
   38    33    49    51   0.76800  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39   -44    46   0.39000  1.0 1.0
   38    39   -44    46  -0.05800 -1.0 2.0
   38    39   -44    46  -0.55150  1.0 3.0
   38    39    44    47   0.67800  1.0 1.0
   38    39    44    47   0.47050 -1.0 2.0
   38    39    44    47  -0.62500  1.0 3.0
   39    38    41    42  -0.04000 -1.0 2.0
   39    38    41    42  -0.29050  1.0 3.0
   39    38    41    43  -0.04000 -1.0 2.0
   39    38    41    43  -0.29050  1.0 3.0
   39    44    46    49  -0.77900  1.0 1.0
   39    44    46    49  -0.36900 -1.0 2.0
   39    44    46    49   0.40400  1.0 3.0
   39    44    47    48  -0.07800  1.0 1.0
   39    44    47    48  -0.21500 -1.0 2.0
   39    44    47    48  -0.03150  1.0 3.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    46   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   44    46   -49    33   0.06250  1.0 1.0
   44    46   -49    33  -0.01100 -1.0 2.0
   44    46   -49    33   0.28050  1.0 3.0
   44    46    49    50   0.37050  1.0 3.0
   44    46    49    51  -1.11000  1.0 1.0
   44    46    49    51   0.50250 -1.0 2.0
   44    46    49    51   0.47450  1.0 3.0
   45    44    46    49   0.37050  1.0 3.0
   45    44    47    48   0.19450  1.0 3.0
   46    44    47    48  -0.50000  1.0 1.0
   46    44    47    48  -0.73950 -1.0 2.0
   46    44    47    48   0.17150  1.0 3.0
   46    49    51    52   0.30150 -1.0 2.0
   46    49    51    53   0.30150 -1.0 2.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   47    44    46    49  -0.81800  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   52    49    51    53  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
