* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     90    141     269
    1     0 S   NP   _N1_     1    28.79917    95.69157   -23.38875
    2     1 S   H    _HN1     2     1.02830    34.27426   166.75454
    3     1 S   H    _H1_     3     1.02787   105.90612   -94.69009
    4     1 S   H    _H2_     4     1.02949    75.63713    10.68821
    5     1 S   CT   _CA1     5     1.50108   136.25704   115.35853
    6     5 S   HC   _HA1     6     1.09573   105.19446    87.31411
    7     5 S   CO3  _C1_     7     1.53784   112.46327   -32.92919
    8     7 S   O2Z  _O11     8     1.26371   115.00887   -42.74866
    9     7 S   O2Z  _O12     9     1.26239   114.94542   136.38750
   10     5 S   CT   _CB1    10     1.53078   107.42520  -154.70041
   11    10 S   HC   HB11    11     1.09834   109.37168   -49.69487
   12    10 S   HC   HB12    12     1.09812   110.45214    66.91407
   13    10 S   CT   _CG1    13     1.52995   112.60258  -170.66308
   14    13 S   HC   HG11    14     1.09580   110.64909   -65.79760
   15    13 S   HC   HG12    15     1.09670   109.76852    53.43184
   16    13 S   C    _CD1    16     1.51801   112.19995   173.90027
   17    16 S   O    _OE1    17     1.22733   123.27582     7.82471
   18    16 S   N    _N2_    18     1.38645   111.69360  -172.26934
   19    18 S   H    _HN2    19     1.01588   118.96333     1.60742
   20    18 S   CT1  _CA2    20     1.46222   123.41596   177.29578
   21    20 S   HC   _HA2    21     1.09737   109.32026     3.91372
   22    20 S   C    _C2_    22     1.53597   108.80725  -111.52657
   23    22 S   O    _O2_    23     1.23063   122.25623  -149.59154
   24    20 S   CT   _CB2    32     1.53267   111.49254   125.88289
   25    24 S   HC   HB21    33     1.09654   110.12224    55.98022
   26    24 S   HC   HB22    34     1.09566   110.36592   174.67851
   27    22 S   N    _N3_    24     1.38324   113.78581    37.97475
   28    27 S   H    _HN3    25     1.01569   119.58739    -3.42514
   29    24 S   S    _SG2    35     1.82690   111.49364   -65.28972
   30    27 S   CT   _CA3    26     1.45284   123.25009   177.10362
   31    30 S   HC   HA31    27     1.09549   107.52016   -64.48725
   32    30 S   HC   HA32    28     1.09556   107.98439    51.96422
   33    29 S   CM   _C6_    36     1.73663    99.40848   176.40621
   34    30 S   CO3  _C3_    29     1.52969   114.04917   173.95289
   35    34 S   O2Z  _O31    30     1.26381   116.05940    -0.60620
   36    34 S   O2Z  _O32    31     1.26425   114.41764   179.45428
   37    33 S   CM   _C5_    37     1.44883   118.68933    89.04898
   38    37 S   HC   _H5_    38     1.08575   119.01048    -9.05200
   39    37 S   CM   _C4_    39     1.34113   121.45707   169.89407
   40    39 S   HC   _H4_    40     1.08574   119.64185  -178.51483
   41    39 S   CT   _C9_    41     1.50640   122.29702     0.67173
   42    41 S   HC   _H3_    42     1.09632   109.34901   142.19655
   43    41 S   CT   _C8_    43     1.55124   113.68565    19.09557
   44    41 S   OH   _O33    51     1.43256   106.88928  -103.01255
   45    44 S   HO   _H7_    52     0.97200   107.61623   -59.51798
   46    33 S   CM   _C7_    44     1.34486   120.78450   -89.75697
   47    46 S   HC   _H6_    45     1.08809   120.54628     0.06853
   48    43 S   CO3  _C10    46     1.55937   112.62146    91.36090
   49    48 S   O2Z  _O35    47     1.26777   114.75390   152.55500
   50    48 S   O2Z  _O34    48     1.26360   116.34916   -27.99714
   51    43 S   OH   _O36    49     1.43510   109.35974  -148.99342
   52    51 S   HO   _H8_    50     0.97461   107.15171  -158.30540
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  10   2   1   1   9   4   9   4  11   6   9   4   1   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    46    47    48    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    47    44  
   39    40    41    46  
   40    41    42    43    46    48    51    44    45  
   41    42    43    44  
   42    43    46    47    48    49    50    51    52    44    45  
   43    46    48    51    44    45  
   46    47    48    49    50    51    52    44    45  
   45    46    48    51  
    0  
   47    48    49    50    51    52  
   48    51  
   49    50    51    52  
   50    51  
   51  
   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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   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    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   240.000  1.763
   33    37   380.000  1.444
   33    46   549.000  1.340
   37    38   340.000  1.080
   37    39   549.000  1.340
   39    40   340.000  1.080
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   317.000  1.510
   43    48   317.000  1.522
   43    51   320.000  1.410
   46    47   340.000  1.080
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   44    45   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    46    65.00000  122.11800
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    46    43    70.00000  124.00000
   33    46    47    35.00000  120.00000
   37    39    40    35.00000  120.00000
   37    39    41    70.00000  124.00000
   39    37    38    35.00000  120.00000
   39    41    42    35.00000  109.50000
   39    41    43    70.00000  112.02700
   39    41    44    90.00000  110.39200
   41    39    40    35.00000  117.00000
   41    43    46    70.00000  112.02700
   41    43    48    70.00000  109.69300
   41    43    51    50.00000  109.50000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    35.00000  117.00000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   43    51    52    55.00000  108.50000
   46    33    37    70.00000  123.01800
   48    43    46    65.00000  111.94000
   50    48    49    80.00000  126.00000
   51    43    46    90.00000  110.39200
   51    43    48    95.00000  109.52300
   44    41    42    35.00000  109.50000
   44    41    43    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    46   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    39  -0.18600  1.0 3.0
   29    33    46    43   7.00000 -1.0 2.0
   29    33    46    47   7.00000 -1.0 2.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    41   7.00000 -1.0 2.0
   37    33    46    43   7.00000 -1.0 2.0
   37    33    46    47   7.00000 -1.0 2.0
   37    39    41    42   0.00000  1.0 1.0
   37    39   -41    43   0.09850  1.0 1.0
   37    39   -41    43   0.15250 -1.0 2.0
   37    39   -41    43  -0.50650  1.0 3.0
   37    39    41    44   0.67800  1.0 1.0
   37    39    41    44   0.47050 -1.0 2.0
   37    39    41    44  -0.62500  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    41   7.00000 -1.0 2.0
   39    41    43    46   0.31000  1.0 1.0
   39    41    43    46   0.14700 -1.0 2.0
   39    41    43    46   0.07550  1.0 3.0
   39    41    43    48  -0.98800  1.0 1.0
   39    41    43    48   0.48800 -1.0 2.0
   39    41    43    48   0.76800  1.0 3.0
   39    41    43    51   1.05650  1.0 1.0
   39    41    43    51   0.15600 -1.0 2.0
   39    41    43    51   0.53150  1.0 3.0
   39    41    44    45  -0.07800  1.0 1.0
   39    41    44    45  -0.21500 -1.0 2.0
   39    41    44    45  -0.03150  1.0 3.0
   40    39    41    42   0.33100  1.0 3.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    44   0.00000  1.0 1.0
   41    43   -46    33   0.09850  1.0 1.0
   41    43   -46    33   0.15250 -1.0 2.0
   41    43   -46    33  -0.50650  1.0 3.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    48    49   0.41150 -1.0 2.0
   41    43    48    50   0.41150 -1.0 2.0
   41    43    51    52  -0.11600  1.0 1.0
   41    43    51    52  -0.09450 -1.0 2.0
   41    43    51    52   0.21250  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48  -0.11250  1.0 3.0
   42    41    43    51   0.23400  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   46    33    37    38  -0.18600  1.0 3.0
   46    33   -37    39   0.28850  1.0 1.0
   46    33   -37    39   2.61350 -1.0 2.0
   46    33   -37    39   0.78400  1.0 3.0
   46    43    48    49   0.30150 -1.0 2.0
   46    43    48    50   0.30150 -1.0 2.0
   46    43    51    52  -0.07800  1.0 1.0
   46    43    51    52  -0.21500 -1.0 2.0
   46    43    51    52  -0.03150  1.0 3.0
   48    43    46    33  -0.51250  1.0 1.0
   48    43    46    33  -0.88800 -1.0 2.0
   48    43    46    33   0.08850  1.0 3.0
   48    43    46    47   0.00000  1.0 1.0
   48    43    51    52   0.91850  1.0 1.0
   48    43    51    52   0.57950  1.0 3.0
   51    43    46    33   0.67800  1.0 1.0
   51    43    46    33   0.47050 -1.0 2.0
   51    43    46    33  -0.62500  1.0 3.0
   51    43    46    47   0.00000  1.0 1.0
   51    43    48    49   0.30150 -1.0 2.0
   51    43    48    50   0.30150 -1.0 2.0
   44    41    43    46   1.05650  1.0 1.0
   44    41    43    46   0.15600 -1.0 2.0
   44    41    43    46   0.53150  1.0 3.0
   44    41    43    48  -5.33000  1.0 1.0
   44    41    43    48  -0.54250 -1.0 2.0
   44    41    43    48  -0.07300  1.0 3.0
   44    41    43    51   3.75450  1.0 1.0
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
   29    37    33    46   1.10000 -1.0 2.0
   33    38    37    39   1.10000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   43    47    46    33   1.10000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
