* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    155     297
    1     0 S   NP   _N1_     1    28.11526    96.58367   -22.29458
    2     1 S   H    _HN1     2     1.02776   101.29034  -115.96667
    3     1 S   H    _H1_     3     1.02957    76.74534    -9.55142
    4     1 S   H    _H2_     4     1.02835    35.35458   138.95974
    5     1 S   CT   _CA1     5     1.50138   140.25038    96.49190
    6     5 S   HC   _HA1     6     1.09575   105.20685    83.88358
    7     5 S   CO3  _C1_     7     1.53781   112.34176   -36.29094
    8     7 S   O2Z  _O11     8     1.26367   114.99420   -44.09634
    9     7 S   O2Z  _O12     9     1.26232   114.92820   134.94130
   10     5 S   CT   _CB1    10     1.53089   107.41336  -158.22127
   11    10 S   HC   HB11    11     1.09828   109.31705   -50.43796
   12    10 S   HC   HB12    12     1.09815   110.43471    66.11115
   13    10 S   CT   _CG1    13     1.53025   112.68525  -171.50132
   14    13 S   HC   HG11    14     1.09593   110.50333   -64.71024
   15    13 S   HC   HG12    15     1.09657   109.90928    54.49807
   16    13 S   C    _CD1    16     1.51848   112.28173   174.85581
   17    16 S   O    _OE1    17     1.22755   123.26567     1.11065
   18    16 S   N    _N2_    18     1.38547   111.73764  -178.87761
   19    18 S   H    _HN2    19     1.01558   119.08361     4.17730
   20    18 S   CT1  _CA2    20     1.45892   122.87961   177.93304
   21    20 S   HC   _HA2    21     1.09712   108.91108    24.90361
   22    20 S   C    _C2_    22     1.52873   106.63350   -92.37284
   23    22 S   O    _O2_    23     1.23018   122.86927   -31.37106
   24    20 S   CT   _CB2    32     1.53162   112.22537   148.12055
   25    24 S   HC   HB21    33     1.09594   110.13904    55.00905
   26    24 S   HC   HB22    34     1.09456   110.00284   173.94612
   27    22 S   N    _N3_    24     1.38476   112.77348   151.16434
   28    27 S   H    _HN3    25     1.01666   120.39110    -0.85547
   29    24 S   S    _SG2    35     1.82623   111.02441   -65.75081
   30    27 S   CT   _CA3    26     1.45369   122.32868   178.81816
   31    30 S   HC   HA31    27     1.09568   107.39634   -64.68492
   32    30 S   HC   HA32    28     1.09573   107.98964    51.59169
   33    29 S   CT   _C11    36     1.84816    99.77364   167.73283
   34    33 S   HC   _H3_    37     1.09845   104.89338   -53.75902
   35    30 S   CO3  _C3_    29     1.52867   114.53172   173.61896
   36    35 S   O2Z  _O31    30     1.26304   116.14725    -2.79183
   37    35 S   O2Z  _O32    31     1.26465   114.36728   177.33802
   38    33 S   CT   _C9_    38     1.54760   112.86802    64.55465
   39    38 S   HC   _H18    39     1.09869   106.98173   -74.30738
   40    38 S   CM   _C5_    40     1.51650   112.37233   167.66618
   41    38 S   CO3  _C7_    54     1.54940   115.87001    46.05354
   42    41 S   O2Z  _O10    55     1.26569   114.58581  -126.00202
   43    41 S   O2Z  _O34    56     1.26352   116.42177    53.54757
   44    40 S   CM   _C4_    41     1.34235   123.59220   -13.59228
   45    44 S   HC   _H16    42     1.08748   120.06300   178.02999
   46    40 S   CO3  _C6_    51     1.53893   119.18749   163.69062
   47    46 S   O2Z  _O9_    52     1.26471   115.00855   -49.69453
   48    46 S   O2Z  _O33    53     1.26486   115.63491   130.95912
   49    44 S   CT   _C8_    43     1.49815   123.38086    -0.62807
   50    49 S   HC   _H17    44     1.09590   110.05216  -136.45412
   51    33 S   CT   _C10    45     1.54318   110.63017  -168.97206
   52    51 S   HC   _H19    46     1.09576   110.14937   -62.81753
   53    49 S   OH   _O13    49     1.43083   107.60598   107.49073
   54    53 S   HO   _H21    50     0.97228   107.74112    53.99336
   55    51 S   OH   _O14    47     1.43124   110.48205    55.14481
   56    55 S   HO   _H22    48     0.97191   107.43497   174.66836
  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
  16   8   2   1   1  14   7  12   5   1   1  11   5   3   1   1
   7   5   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    51    52    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    49    50    51    52    55    56    53    46    41    42    43  
   38    39    40    49    51    52    55    41  
   36    37  
   37  
    0  
   39    40    44    45    49    51    52    55    46    47    48    41    42    43  
   40    44    51    46    41    42    43  
   44    45    49    50    51    53    46    47    48    41    42    43  
   42    43    44    46    51  
   43  
    0  
   45    49    50    51    52    55    53    54    46    47    48  
   49    50    51    53    46  
   47    48    49  
   48  
    0  
   50    51    52    55    56    53    54  
   51    52    55    53    54  
   52    55    56    53    54  
   55    56    53  
   54    55  
    0  
   56  
    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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.700000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.910300   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   317.000  1.522
   40    44   549.000  1.340
   40    46   230.000  1.545
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    56   553.000  0.945
   53    54   553.000  0.945
   46    47   656.000  1.250
   46    48   656.000  1.250
   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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    70.00000  109.69300
   33    51    49    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    70.00000  124.00000
   38    40    46    65.00000  117.04000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  120.00000
   40    44    49    70.00000  124.00000
   40    46    47    85.00000  113.83300
   40    46    48    85.00000  113.83300
   44    49    50    35.00000  109.50000
   44    49    51    70.00000  112.02700
   44    49    53    90.00000  110.39200
   49    44    45    35.00000  117.00000
   49    51    52    37.50000  110.70000
   49    51    55    50.00000  109.50000
   49    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    55    56    55.00000  108.50000
   55    51    52    35.00000  109.50000
   53    49    50    35.00000  109.50000
   53    49    51    50.00000  109.50000
   46    40    44    55.00000  124.75400
   48    46    47    80.00000  126.00000
   41    38    39    35.00000  109.50000
   41    38    40    65.00000  111.94000
   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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    51    55    56  -0.11600  1.0 1.0
   33    51    55    56  -0.09450 -1.0 2.0
   33    51    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    51    49   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.23400  1.0 3.0
   38    33    51    49   0.56750  1.0 1.0
   38    33    51    49  -0.07550 -1.0 2.0
   38    33    51    49   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55   0.86500  1.0 1.0
   38    33    51    55  -0.17500 -1.0 2.0
   38    33    51    55   0.20800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    49   7.00000 -1.0 2.0
   38    40    46    47  -0.64400  1.0 1.0
   38    40    46    47   0.26850 -1.0 2.0
   38    40    46    48  -0.64400  1.0 1.0
   38    40    46    48   0.26850 -1.0 2.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.09850  1.0 1.0
   40    44    49    51   0.15250 -1.0 2.0
   40    44    49    51  -0.50650  1.0 3.0
   40    44    49    53   0.67800  1.0 1.0
   40    44    49    53   0.47050 -1.0 2.0
   40    44    49    53  -0.62500  1.0 3.0
   44    40    46    47  -0.04000 -1.0 2.0
   44    40    46    47  -0.29050  1.0 3.0
   44    40    46    48  -0.04000 -1.0 2.0
   44    40    46    48  -0.29050  1.0 3.0
   44    49   -51    33   0.34400  1.0 1.0
   44    49   -51    33   0.09450 -1.0 2.0
   44    49   -51    33   0.11100  1.0 3.0
   44    49    51    52   0.15000  1.0 3.0
   44    49    51    55   1.05650  1.0 1.0
   44    49    51    55   0.15600 -1.0 2.0
   44    49    51    55   0.53150  1.0 3.0
   44    49    53    54  -0.07800  1.0 1.0
   44    49    53    54  -0.21500 -1.0 2.0
   44    49    53    54  -0.03150  1.0 3.0
   45    44    49    50   0.33100  1.0 3.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    53   0.00000  1.0 1.0
   49    51    55    56  -0.11600  1.0 1.0
   49    51    55    56  -0.09450 -1.0 2.0
   49    51    55    56   0.21250  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.23400  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.34400  1.0 1.0
   51    33   -38    40   0.09450 -1.0 2.0
   51    33   -38    40   0.11100  1.0 3.0
   51    33    38    41  -1.63150  1.0 1.0
   51    33    38    41  -0.43550 -1.0 2.0
   51    33    38    41   0.24500  1.0 3.0
   51    49    53    54  -0.11600  1.0 1.0
   51    49    53    54  -0.09450 -1.0 2.0
   51    49    53    54   0.21250  1.0 3.0
   52    51    55    56   0.19450  1.0 3.0
   53    49    51    33   0.86500  1.0 1.0
   53    49    51    33  -0.17500 -1.0 2.0
   53    49    51    33   0.20800  1.0 3.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55   3.75450  1.0 1.0
   46    40    44    45   7.00000 -1.0 2.0
   46    40    44    49   7.00000 -1.0 2.0
   41    38    40    44  -0.51250  1.0 1.0
   41    38    40    44  -0.88800 -1.0 2.0
   41    38    40    44   0.08850  1.0 3.0
   41    38    40    46   0.09700  1.0 1.0
   41    38    40    46   0.15600 -1.0 2.0
   41    38    40    46  -0.50800  1.0 3.0
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
   38    46    40    44   1.10000 -1.0 2.0
   49    45    44    40   1.10000 -1.0 2.0
   47    40    46    48  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
