* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     98    150     291
    1     0 S   NP   _N1_     1    28.83470    95.97996   -23.53845
    2     1 S   H    _HN1     2     1.02792   107.38254   -99.97359
    3     1 S   H    _H1_     3     1.02949    74.56918     4.85486
    4     1 S   H    _H2_     4     1.02828    34.80751   163.52811
    5     1 S   CT   _CA1     5     1.50115   135.35077   108.50458
    6     5 S   HC   _HA1     6     1.09572   105.19037    89.32357
    7     5 S   CO3  _C1_     7     1.53784   112.39888   -30.92950
    8     7 S   O2Z  _O11     8     1.26374   115.01372   -43.99612
    9     7 S   O2Z  _O12     9     1.26230   114.94597   135.03902
   10     5 S   CT   _CB1    10     1.53063   107.40854  -152.69826
   11    10 S   HC   HB11    11     1.09838   109.39443   -49.36270
   12    10 S   HC   HB12    12     1.09811   110.45734    67.24467
   13    10 S   CT   _CG1    13     1.53007   112.60554  -170.29135
   14    13 S   HC   HG11    14     1.09578   110.69953   -65.78199
   15    13 S   HC   HG12    15     1.09668   109.74175    53.46460
   16    13 S   C    _CD1    16     1.51807   112.06329   173.97006
   17    16 S   O    _OE1    17     1.22753   123.20554     9.92797
   18    16 S   N    _N2_    18     1.38605   111.76660  -170.17901
   19    18 S   H    _HN2    19     1.01611   119.11019     1.34683
   20    18 S   CT1  _CA2    20     1.46278   123.47858   177.82777
   21    20 S   HC   _HA2    21     1.09739   109.18804     7.77203
   22    20 S   C    _C2_    22     1.53684   109.44766  -107.82442
   23    22 S   O    _O2_    23     1.23097   122.13216  -153.54658
   24    20 S   CT   _CB2    32     1.53319   111.20868   129.56992
   25    24 S   HC   HB21    33     1.09405   109.55661    55.99922
   26    24 S   HC   HB22    34     1.09503   110.61525   175.01387
   27    22 S   N    _N3_    24     1.38296   114.03978    34.11074
   28    27 S   H    _HN3    25     1.01532   119.57451    -3.84252
   29    24 S   S    _SG2    35     1.82766   111.23961   -65.27422
   30    27 S   CT   _CA3    26     1.45267   123.26262   177.05430
   31    30 S   HC   HA31    27     1.09549   107.57695   -63.25433
   32    30 S   HC   HA32    28     1.09557   107.92024    53.18581
   33    29 S   CT   _C8_    36     1.82491    99.45917   173.57618
   34    33 S   HC   _H5_    37     1.09511   108.70602    46.14193
   35    30 S   CO3  _C3_    29     1.52964   114.06473   175.16102
   36    35 S   O2Z  _O31    30     1.26381   116.09458     0.52638
   37    35 S   O2Z  _O32    31     1.26430   114.41399  -179.44786
   38    33 S   CM   _C9_    38     1.49820   111.19298   -76.99945
   39    38 S   CT   _C4_    39     1.50596   120.56506   -75.44184
   40    39 S   HC   _H6_    40     1.09683   109.80118   105.84342
   41    39 S   HC   _H7_    41     1.09860   108.01060  -138.04511
   42    38 S   CMA  _C10    53     1.51991   120.33813   111.44197
   43    42 S   OM   _O34    54     1.26216   120.69849    50.61694
   44    42 S   OM   _O35    55     1.26228   120.52063  -129.83365
   45    39 S   CT   _C5_    42     1.53461   112.87785   -16.79072
   46    45 S   HC   _H3_    43     1.09764   109.52364    83.48151
   47    45 S   CT   _C6_    44     1.53106   110.82383   -36.95112
   48    47 S   HC   _H4_    45     1.09639   111.53428   -59.78985
   49    45 S   NTH2 _N4_    50     1.46764   109.51149  -159.64039
   50    49 S   H    _H9_    51     1.01906   109.45192   -62.91201
   51    49 S   H    _H10    52     1.01966   108.96711  -179.26087
   52    33 S   CO4  _C7_    46     1.52415   108.11203   161.49678
   53    52 S   O    _O33    47     1.23514   120.82746   -75.36241
   54    47 S   OH   _O36    48     1.42337   109.63302   179.85329
   55    54 S   HO   _H8_    49     0.97316   107.03647  -178.89518
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  12  14   6   5   4   1   1  10   7   8   5
   4   1   1   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    52    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    52    53    54    42    43    44  
   38    39    47    52    53    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    52    53    49    42    43    44  
   40    41    45    46    47    48    52    54    49    50    51    42    43    44  
   41    45    46    47    49    42  
   45    46    47    49    42  
   43    44    45    52  
   44  
    0  
   46    47    48    52    53    54    55    49    50    51  
   47    48    52    54    49    50    51  
   48    52    53    54    55    49    50    51  
   52    53    54    55    49  
   50    51    52    54  
   51  
    0  
   53    54    55  
   54  
   55  
    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   2.4200   0.0150   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    52   317.000  1.522
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   300.000  1.468
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    54   320.000  1.410
   52    53   570.000  1.229
   54    55   553.000  0.945
   49    50   495.000  1.019
   49    51   495.000  1.019
   42    43   745.000  1.250
   42    44   745.000  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    52    75.00000  110.18000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    52    47    70.00000  116.00000
   33    52    53    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    45    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   39    45    46    37.50000  110.70000
   39    45    47    58.35000  112.70000
   39    45    49    80.00000  112.76400
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    54    50.00000  109.50000
   45    49    50    50.00000  110.30900
   45    49    51    50.00000  110.30900
   47    45    46    37.50000  110.70000
   47    52    53    80.00000  120.40000
   47    54    55    55.00000  108.50000
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  109.06800
   52    47    48    35.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    52    90.00000  109.61100
   49    45    46    50.00000  110.79000
   49    45    47    80.00000  112.76400
   51    49    50    40.00000  106.77200
   42    38    39    70.00000  124.00000
   44    42    43    65.00000  121.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    52    47   0.65300  1.0 1.0
   29    33    52    47  -0.03850 -1.0 2.0
   29    33    52    47   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    52    47   0.00000  1.0 1.0
   34    33    52    53   0.00000  1.0 1.0
   38    33    52    47   0.65300  1.0 1.0
   38    33    52    47  -0.03850 -1.0 2.0
   38    33    52    47   0.33900  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
   38    39    45    46   0.15000  1.0 3.0
   38    39   -45    47   0.34400  1.0 1.0
   38    39   -45    47   0.09450 -1.0 2.0
   38    39   -45    47   0.11100  1.0 3.0
   38    39    45    49   0.59950  1.0 1.0
   38    39    45    49  -0.21400 -1.0 2.0
   38    39    45    49   0.56200  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    52  -0.95700  1.0 1.0
   39    45    47    52  -0.18200 -1.0 2.0
   39    45    47    52   0.29450  1.0 3.0
   39    45    47    54   0.86500  1.0 1.0
   39    45    47    54  -0.17500 -1.0 2.0
   39    45    47    54   0.20800  1.0 3.0
   39    45    49    50   0.21650  1.0 1.0
   39    45    49    50   0.26250 -1.0 2.0
   39    45    49    50   0.12450  1.0 3.0
   39    45    49    51   0.21650  1.0 1.0
   39    45    49    51   0.26250 -1.0 2.0
   39    45    49    51   0.12450  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    49   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    49   0.15000  1.0 3.0
   45    47   -52    33   0.60050  1.0 1.0
   45    47   -52    33   0.05600 -1.0 2.0
   45    47   -52    33   0.26150  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    54    55  -0.11600  1.0 1.0
   45    47    54    55  -0.09450 -1.0 2.0
   45    47    54    55   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    52  -0.11250  1.0 3.0
   46    45    47    54   0.23400  1.0 3.0
   46    45    49    50   0.20000  1.0 3.0
   46    45    49    51   0.20000  1.0 3.0
   47    45    49    50   0.21650  1.0 1.0
   47    45    49    50   0.26250 -1.0 2.0
   47    45    49    50   0.12450  1.0 3.0
   47    45    49    51   0.21650  1.0 1.0
   47    45    49    51   0.26250 -1.0 2.0
   47    45    49    51   0.12450  1.0 3.0
   48    47    52    33   0.00000  1.0 1.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    54    55   0.19450  1.0 3.0
   52    33   -38    39   0.17250  1.0 1.0
   52    33   -38    39  -0.04100 -1.0 2.0
   52    33   -38    39  -0.33850  1.0 3.0
   52    33    38    42  -0.51250  1.0 1.0
   52    33    38    42  -0.88800 -1.0 2.0
   52    33    38    42   0.08850  1.0 3.0
   52    47    54    55   0.91850  1.0 1.0
   52    47    54    55   0.57950  1.0 3.0
   54    47    52    33   0.55300  1.0 1.0
   54    47    52    33   1.25850 -1.0 2.0
   54    47    52    33  -0.23600  1.0 3.0
   54    47    52    53   0.30150 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -3.56550  1.0 1.0
   49    45    47    52  -0.67500 -1.0 2.0
   49    45    47    52   1.11300  1.0 3.0
   49    45    47    54   5.28650  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    45   0.09850  1.0 1.0
   42    38    39    45   0.15250 -1.0 2.0
   42    38    39    45  -0.50650  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
   33    39    38    42   1.10000 -1.0 2.0
   33    47    52    53  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
