* LIGAND DATABASE FILE (OPLS2005)
*
001      56    55     93    133     269
    1     0 S   NP   _N1_     1    30.94927    90.22951   -18.63478
    2     1 S   H    _HN1     2     1.03386   114.34943   102.97946
    3     1 S   H    _H1_     3     1.02793    34.54983    18.69239
    4     1 S   H    _H2_     4     1.03399   130.16974   -39.35079
    5     1 S   CT   _CA1     5     1.50382    77.60858  -147.76365
    6     5 S   HC   _HA1     6     1.09694   104.32189    71.88690
    7     5 S   CO3  _C1_     7     1.54185   112.04632   -43.77339
    8     7 S   O2Z  _O11     8     1.26100   116.69574  -124.66452
    9     7 S   O2Z  _O12     9     1.26617   114.00634    55.54160
   10     5 S   CT   _CB1    10     1.52921   106.72606  -172.57263
   11    10 S   HC   HB11    11     1.09549   108.82371   -43.66901
   12    10 S   HC   HB12    12     1.09788   110.19326    72.12610
   13    10 S   CT   _CG1    13     1.53430   113.71745  -164.86721
   14    13 S   HC   HG11    14     1.09515   111.18612   -92.22099
   15    13 S   HC   HG12    15     1.09582   111.23824    27.86190
   16    13 S   C    _CD1    16     1.51565   109.70894   146.87865
   17    16 S   O    _OE1    17     1.22848   121.91291  -111.92870
   18    16 S   N    _N2_    18     1.38298   112.83853    65.55740
   19    18 S   H    _HN2    19     1.01570   119.32351    10.08192
   20    18 S   CT1  _CA2    20     1.45533   122.63192  -167.31447
   21    20 S   HC   _HA2    21     1.09652   108.22345    24.83716
   22    20 S   C    _C2_    22     1.52787   108.35222   -92.19515
   23    22 S   O    _O2_    23     1.22918   122.97088   -25.82026
   24    20 S   CT   _CB2    32     1.53545   112.37402   146.69130
   25    24 S   HC   HB21    33     1.09682   109.47414    76.13012
   26    24 S   HC   HB22    34     1.09544   110.69127  -167.39840
   27    22 S   N    _N3_    24     1.38642   112.23770   157.10927
   28    27 S   H    _HN3    25     1.01506   119.70359     0.53814
   29    24 S   S    _SG2    35     1.83167   115.38076   -42.80493
   30    27 S   CT   _CA3    26     1.45442   122.92631   175.00143
   31    30 S   HC   HA31    27     1.09532   109.04450    28.65748
   32    30 S   HC   HA32    28     1.09480   107.16664   145.83665
   33    29 S   CT   _C6_    36     1.82973   101.60924   -61.21245
   34    33 S   HC   _H3_    37     1.09408   108.15764    41.47676
   35    30 S   CO3  _C3_    29     1.53052   113.45636   -94.41246
   36    35 S   O2Z  _O31    30     1.26385   115.75669   -32.28132
   37    35 S   O2Z  _O32    31     1.26396   114.72759   148.57874
   38    33 S   CM   _C7_    38     1.51860   114.00197   160.37530
   39    33 S   CO4  _C5_    50     1.51893   108.20790   -77.57472
   40    39 S   O    _O34    51     1.22495   125.23928   -74.53409
   41    38 S   CM   _C9_    39     1.34725   127.03669    25.32559
   42    41 S   HC   _H7_    40     1.08710   119.44349     0.55107
   43    38 S   CO3  _C8_    47     1.54836   113.85811  -151.49523
   44    43 S   O2Z  _O35    48     1.26602   115.45247   112.04499
   45    43 S   O2Z  _O36    49     1.26502   114.74746   -65.08301
   46    39 S   OS   _O33    52     1.36803   109.41117   103.84844
   47    41 S   CM   _C10    41     1.43774   127.56363  -178.52847
   48    46 S   CT   _C4_    53     1.42984   115.20684  -179.29473
   49    48 S   HC   _H4_    54     1.09327   108.09615  -179.40422
   50    48 S   HC   _H5_    55     1.09420   110.25777    61.95518
   51    48 S   HC   _H6_    56     1.09421   110.33284   -60.70164
   52    47 S   CMA  _C11    42     1.51493   123.46401   138.61331
   53    52 S   OM   _O38    43     1.26429   121.87808   -15.84899
   54    52 S   OM   _O37    44     1.26410   120.13158   166.03583
   55    47 S   OH   _O39    45     1.37831   117.25780   -47.11365
   56    55 S   HO   _H8_    46     0.97512   104.99518  -176.27480
  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
  12   6   2   1   1  11   8   2  10   4   3   1   1   4   5   3
   2   1   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    43    44    45    39    40    46    48  
   38    41    43    39    40    46  
   36    37  
   37  
    0  
   41    42    47    52    55    43    44    45    39    40    46  
   40    46    48    49    50    51    41    43  
   46    48  
   42    47    52    53    54    55    56    43    44    45  
   47    52    55    43  
   44    45    47  
   45  
    0  
   48    49    50    51  
   52    53    54    55    56  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56  
   54    55  
   55  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   54   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   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    39   317.000  1.522
   38    41   549.000  1.340
   38    43   230.000  1.545
   41    42   340.000  1.080
   41    47   380.000  1.444
   47    52   465.000  1.376
   47    55   510.000  1.338
   52    53   745.000  1.250
   52    54   745.000  1.250
   55    56   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
   39    40   570.000  1.229
   39    46   214.000  1.327
   46    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.04000
   33    39    40    80.00000  120.40000
   33    39    46    81.00000  111.40000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  123.01800
   38    43    44    85.00000  113.83300
   38    43    45    85.00000  113.83300
   41    47    52    70.00000  117.34000
   41    47    55    80.00000  121.38400
   47    41    42    35.00000  120.00000
   47    52    53    65.00000  137.10300
   47    52    54    65.00000  137.10300
   47    55    56    70.00000  107.45700
   54    52    53    65.00000  121.00000
   55    47    52    80.00000  121.38400
   43    38    41    55.00000  124.75400
   45    43    44    80.00000  126.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  109.06800
   39    46    48    83.00000  116.90000
   46    39    40    83.00000  123.40000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    46   0.40000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    45  -0.64400  1.0 1.0
   33    38    43    45   0.26850 -1.0 2.0
   33    39    46    48   1.63150  1.0 1.0
   33    39    46    48   2.92000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   38    33    39    40   0.30150 -1.0 2.0
   38    33    39    46   0.40000  1.0 3.0
   38    41    47    52   0.28850  1.0 1.0
   38    41    47    52   2.61350 -1.0 2.0
   38    41    47    52   0.78400  1.0 3.0
   38    41    47    55   0.50950  1.0 1.0
   38    41    47    55   0.56650 -1.0 2.0
   38    41    47    55   0.34050  1.0 3.0
   41    38    43    44  -0.04000 -1.0 2.0
   41    38    43    44  -0.29050  1.0 3.0
   41    38    43    45  -0.04000 -1.0 2.0
   41    38    43    45  -0.29050  1.0 3.0
   41    47    52    53   7.00000 -1.0 2.0
   41    47    52    54   7.00000 -1.0 2.0
   41    47    55    56  -0.66100  1.0 1.0
   41    47    55    56   1.20850 -1.0 2.0
   41    47    55    56  -0.36000  1.0 3.0
   42    41    47    52  -0.18600  1.0 3.0
   42    41    47    55   0.00000  1.0 1.0
   52    47    55    56  -0.66100  1.0 1.0
   52    47    55    56   1.20850 -1.0 2.0
   52    47    55    56  -0.36000  1.0 3.0
   55    47    52    53   7.00000 -1.0 2.0
   55    47    52    54   7.00000 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    47   7.00000 -1.0 2.0
   39    33    38    41  -0.51250  1.0 1.0
   39    33    38    41  -0.88800 -1.0 2.0
   39    33    38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   39    46    48    49   0.08050  1.0 3.0
   39    46    48    50   0.08050  1.0 3.0
   39    46    48    51   0.08050  1.0 3.0
   40    39    46    48   3.00000 -1.0 2.0
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    43    38    41  15.00000 -1.0 2.0
   47    42    41    38  15.00000 -1.0 2.0
   41    55    47    52  15.00000 -1.0 2.0
   53    54    52    47  15.00000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
   33    46    39    40  10.50000 -1.0 2.0
END
