* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    138     269
    1     0 S   NP   _N1_     1    28.85997    95.93657   -24.19750
    2     1 S   H    _HN1     2     1.02827    33.55083   171.83295
    3     1 S   H    _H1_     3     1.02795   113.26342  -100.65969
    4     1 S   H    _H2_     4     1.02947    74.13774     2.90293
    5     1 S   CT   _CA1     5     1.50128   129.66300   106.53214
    6     5 S   HC   _HA1     6     1.09573   105.15896    91.75029
    7     5 S   CO3  _C1_     7     1.53769   112.44755   -28.45606
    8     7 S   O2Z  _O11     8     1.26378   115.00455   -42.78672
    9     7 S   O2Z  _O12     9     1.26233   114.94327   136.19731
   10     5 S   CT   _CB1    10     1.53056   107.40063  -150.28516
   11    10 S   HC   HB11    11     1.09842   109.33317   -49.28145
   12    10 S   HC   HB12    12     1.09810   110.47756    67.31139
   13    10 S   CT   _CG1    13     1.53024   112.64365  -170.20620
   14    13 S   HC   HG11    14     1.09568   110.74271   -67.38536
   15    13 S   HC   HG12    15     1.09669   109.69146    51.86692
   16    13 S   C    _CD1    16     1.51816   111.95083   172.35984
   17    16 S   O    _OE1    17     1.22761   123.16278    12.93901
   18    16 S   N    _N2_    18     1.38638   111.86550  -167.07825
   19    18 S   H    _HN2    19     1.01582   119.03216     0.90396
   20    18 S   CT1  _CA2    20     1.46240   123.38724   176.56310
   21    20 S   HC   _HA2    21     1.09740   109.23566     8.33819
   22    20 S   C    _C2_    22     1.53714   109.01017  -107.18192
   23    22 S   O    _O2_    23     1.23090   122.20810  -149.99569
   24    20 S   CT   _CB2    32     1.53391   111.61244   130.28142
   25    24 S   HC   HB21    33     1.09495   109.70655    56.79939
   26    24 S   HC   HB22    34     1.09472   110.00024   175.70819
   27    22 S   N    _N3_    24     1.38303   113.94530    37.55470
   28    27 S   H    _HN3    25     1.01533   119.62365    -3.26747
   29    24 S   S    _SG2    35     1.82801   111.38422   -64.22296
   30    27 S   CT   _CA3    26     1.45280   123.29907   177.19683
   31    30 S   HC   HA31    27     1.09546   107.51890   -64.78493
   32    30 S   HC   HA32    28     1.09555   107.99537    51.67943
   33    29 S   CT   _C8_    36     1.85627   100.24788  -175.11240
   34    30 S   CO3  _C3_    29     1.52979   114.02884   173.68397
   35    34 S   O2Z  _O31    30     1.26387   116.07716    -0.11191
   36    34 S   O2Z  _O32    31     1.26423   114.41976   179.94766
   37    33 S   CO4  _C7_    37     1.53067   109.20694   173.99139
   38    37 S   O    _O33    38     1.23114   124.03214   -20.63341
   39    33 S   OH   _O36    51     1.43719   108.41591    62.73840
   40    39 S   HO   _H8_    52     0.97280   106.12453    39.98279
   41    37 S   CM   _C6_    39     1.48356   117.80431   164.33599
   42    41 S   HC   _H7_    40     1.08514   116.05909   168.22861
   43    41 S   CM   _C5_    41     1.33774   122.64009   -10.19248
   44    43 S   CO4  _C10    42     1.49785   120.68277    -3.74633
   45    44 S   O    _O34    43     1.23435   119.33314   173.04486
   46    43 S   CT   _C4_    47     1.49804   122.45574   177.36916
   47    46 S   HC   _H4_    48     1.09499   110.47871   120.89140
   48    46 S   HC   _H5_    49     1.09527   111.97921     1.00327
   49    46 S   HC   _H6_    50     1.09494   110.46884  -118.91608
   50    33 S   CT   _C9_    44     1.54950   114.67630   -57.87512
   51    50 S   OM   _O35    45     1.32512   112.04855   -56.41045
   52    50 S   HC   _H3_    46     1.10101   106.05936    77.54092
  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  10   5   4   3
  12   2   1   1  11   5   6   1   9   3   9   8   4   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    50    51    52    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    50    51    52    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    50    51    52    46    39    40  
   41    42    43    50    39  
   40    41    44    50    51    52  
   50  
   42    43    44    45    50    46    47    48    49  
   43    44    46  
   44    45    50    51    52    46    47    48    49  
   45    50    51    52    46    47    48    49  
   50    51    52    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52  
   52  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    50   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   340.000  1.080
   41    43   549.000  1.340
   43    44   320.000  1.462
   43    46   317.000  1.510
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   570.000  1.307
   50    52   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    40   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    50    44    63.00000  111.10000
   33    50    51    50.00000  109.50000
   33    50    52    37.50000  110.70000
   33    39    40    55.00000  108.50000
   37    41    42    40.00000  117.72500
   37    41    43    65.00000  118.96000
   41    37    38    80.00000  123.72100
   41    43    44    65.00000  118.96000
   41    43    46    70.00000  124.00000
   43    41    42    35.00000  120.00000
   43    44    45    80.00000  123.72100
   43    44    50    65.00000  118.62400
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   44    50    51    90.00000  108.74100
   44    50    52    35.00000  109.50000
   50    33    37    63.00000  111.10000
   50    44    45    80.00000  120.40000
   52    50    51    45.00000  125.66300
   46    43    44    65.00000  116.34900
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  109.61100
   39    33    50    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.56750  1.0 1.0
   29    33    50    51  -0.07550 -1.0 2.0
   29    33    50    51   0.20000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.04550  1.0 1.0
   33    37    41    42   0.83000 -1.0 2.0
   33    37    41    42  -0.04000  1.0 3.0
   33    37    41    43  -0.33500  1.0 1.0
   33    37    41    43   1.06600 -1.0 2.0
   33    37    41    43  -0.14000  1.0 3.0
   37    33    50    44   0.11950  1.0 1.0
   37    33    50    44   0.20300 -1.0 2.0
   37    33    50    44  -0.70800  1.0 3.0
   37    33    50    51  -0.09450  1.0 1.0
   37    33    50    51  -1.12950 -1.0 2.0
   37    33    50    51   0.54000  1.0 3.0
   37    33    50    52  -0.11250  1.0 3.0
   37    33    39    40   0.91850  1.0 1.0
   37    33    39    40   0.57950  1.0 3.0
   37    41   -43    44   7.00000 -1.0 2.0
   37    41    43    46   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   1.00000 -1.0 2.0
   41    43    44    45   1.00000 -1.0 2.0
   41    43    44    50  -0.33500  1.0 1.0
   41    43    44    50   1.06600 -1.0 2.0
   41    43    44    50  -0.14000  1.0 3.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    46    48   0.00000  1.0 1.0
   41    43    46    49   0.00000  1.0 1.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    46   7.00000 -1.0 2.0
   43    44   -50    33   0.65300  1.0 1.0
   43    44   -50    33  -0.03850 -1.0 2.0
   43    44   -50    33   0.33900  1.0 3.0
   43    44    50    51   0.65300  1.0 1.0
   43    44    50    51  -0.03850 -1.0 2.0
   43    44    50    51   0.33900  1.0 3.0
   43    44    50    52   0.00000  1.0 1.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    44    50    33   0.30150 -1.0 2.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    52   0.00000  1.0 1.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    41   0.65300  1.0 1.0
   50    33   -37    41  -0.03850 -1.0 2.0
   50    33   -37    41   0.33900  1.0 3.0
   50    33    39    40  -0.11600  1.0 1.0
   50    33    39    40  -0.09450 -1.0 2.0
   50    33    39    40   0.21250  1.0 3.0
   46    43    44    45  -0.64400  1.0 1.0
   46    43    44    45   0.26850 -1.0 2.0
   46    43    44    50   0.25700  1.0 1.0
   46    43    44    50   0.66200 -1.0 2.0
   46    43    44    50   0.04450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    50    44  -0.09450  1.0 1.0
   39    33    50    44  -1.12950 -1.0 2.0
   39    33    50    44   0.54000  1.0 3.0
   39    33    50    51   3.69350  1.0 1.0
   39    33    50    51  -1.82950 -1.0 2.0
   39    33    50    52   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    42    41    43   1.10000 -1.0 2.0
   44    46    43    41   1.10000 -1.0 2.0
   43    50    44    45  10.50000 -1.0 2.0
END
