* LIGAND DATABASE FILE (OPLS2005)
*
001      52    51     88    131     260
    1     0 S   NP   _N1_     1    28.76310    95.74789   -23.14502
    2     1 S   H    _HN1     2     1.02788   103.87945   -93.93692
    3     1 S   H    _H1_     3     1.02949    76.15222    11.92311
    4     1 S   H    _H2_     4     1.02830    34.66026   164.59869
    5     1 S   CT   _CA1     5     1.50111   138.02190   117.17586
    6     5 S   HC   _HA1     6     1.09573   105.19884    85.85526
    7     5 S   CO3  _C1_     7     1.53790   112.46038   -34.39850
    8     7 S   O2Z  _O11     8     1.26373   115.00948   -42.74817
    9     7 S   O2Z  _O12     9     1.26239   114.94519   136.39929
   10     5 S   CT   _CB1    10     1.53078   107.42583  -156.15139
   11    10 S   HC   HB11    11     1.09833   109.39306   -49.63420
   12    10 S   HC   HB12    12     1.09813   110.44190    66.98093
   13    10 S   CT   _CG1    13     1.52990   112.59354  -170.60271
   14    13 S   HC   HG11    14     1.09582   110.63547   -65.35907
   15    13 S   HC   HG12    15     1.09670   109.78677    53.87350
   16    13 S   C    _CD1    16     1.51795   112.22178   174.34941
   17    16 S   O    _OE1    17     1.22731   123.28661     6.97859
   18    16 S   N    _N2_    18     1.38646   111.67419  -173.14431
   19    18 S   H    _HN2    19     1.01581   118.95531     1.73370
   20    18 S   CT1  _CA2    20     1.46205   123.40272   177.73722
   21    20 S   HC   _HA2    21     1.09736   109.34679     3.23604
   22    20 S   C    _C2_    22     1.53560   108.68011  -112.26829
   23    22 S   O    _O2_    23     1.23060   122.27110  -148.25392
   24    20 S   CT   _CB2    32     1.53318   111.56216   125.21419
   25    24 S   HC   HB21    33     1.09590   110.05486    56.33462
   26    24 S   HC   HB22    34     1.09462   110.08119   175.40893
   27    22 S   N    _N3_    24     1.38326   113.72904    39.21672
   28    27 S   H    _HN3    25     1.01580   119.58588    -3.34872
   29    24 S   S    _SG2    35     1.82837   111.48282   -64.52151
   30    27 S   CT   _CA3    26     1.45288   123.23141   177.12513
   31    30 S   HC   HA31    27     1.09549   107.50832   -64.65102
   32    30 S   HC   HA32    28     1.09555   107.99141    51.79423
   33    29 S   CT   _C6_    36     1.85156    99.46805   174.09097
   34    33 S   HC   _H3_    37     1.09324   106.67682   -44.09728
   35    30 S   CO3  _C3_    29     1.52965   114.06445   173.78574
   36    35 S   O2Z  _O31    30     1.26377   116.06185    -0.85226
   37    35 S   O2Z  _O32    31     1.26426   114.41759   179.21267
   38    33 S   CM   _C5_    38     1.51239   107.40517    76.68738
   39    38 S   HC   _H6_    39     1.09088   115.25291    61.97810
   40    33 S   CT1  _C7_    45     1.54409   110.21316  -162.42913
   41    40 S   HC   _H4_    46     1.09875   109.95113   -61.42354
   42    38 S   CM   _C4_    40     1.34062   128.78376  -118.65760
   43    42 S   HC   _H5_    41     1.08593   119.56188  -179.96574
   44    40 S   CO3  _C8_    47     1.54840   113.52839   177.11479
   45    44 S   O2Z  _O34    48     1.26329   116.48212   -29.38007
   46    44 S   O2Z  _O33    49     1.26639   114.32268   150.76867
   47    40 S   NT   _N4_    50     1.47268   111.90826    59.30012
   48    47 S   H    _H7_    51     1.01961   109.00187   -58.29718
   49    47 S   H    _H8_    52     1.02015   109.10674  -174.06294
   50    42 S   CO4  _C9_    42     1.47670   124.86701    -0.12195
   51    50 S   O    _O35    43     1.22615   121.48359   177.74432
   52    50 S   HC   _H9_    44     1.09903   117.16920    -2.10403
  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   9   5   4   3
  14   7   2   1   1  10   4   8   6   4   3   5   2   1   2   1
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    40    41    44    45    46    47    48    49  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    50    51    52    40    41    44    47  
   42    43    50    40  
   41    44    45    46    47    48    49    42  
   44    45    46    47    48    49  
   43    50    51    52  
   50    51    52  
   45    46    47    48    49  
   46    47  
   47  
   48    49  
   49  
    0  
   51    52  
   52  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    50   320.000  1.462
   50    51   570.000  1.229
   50    52   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   305.000  1.457
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   434.000  1.010
   47    49   434.000  1.010
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    40    75.00000  108.68000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    47    80.00000  111.22000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    50    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    50    51    80.00000  123.72100
   42    50    52    40.00000  115.75000
   50    42    43    40.00000  117.72500
   52    50    51    35.00000  123.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   40    47    48    50.00000  111.55300
   40    47    49    50.00000  111.55300
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    40    41    50.00000  109.55000
   47    40    44    75.00000  111.54000
   49    47    48    43.60000  106.40000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   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    40    41   0.15000  1.0 3.0
   29    33    40    44  -2.17200  1.0 1.0
   29    33    40    44  -0.85700 -1.0 2.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    40    44    45   0.00000  1.0 1.0
   33    40    44    46   0.00000  1.0 1.0
   33    40    47    48  -0.05950  1.0 1.0
   33    40    47    48   0.08850 -1.0 2.0
   33    40    47    48   0.11750  1.0 3.0
   33    40    47    49  -0.05950  1.0 1.0
   33    40    47    49   0.08850 -1.0 2.0
   33    40    47    49   0.11750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.03800  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    47   0.59950  1.0 1.0
   38    33    40    47  -0.21400 -1.0 2.0
   38    33    40    47   0.56200  1.0 3.0
   38    42    50    51   1.00000 -1.0 2.0
   38    42    50    52  -0.79650  1.0 1.0
   38    42    50    52   1.60950 -1.0 2.0
   38    42    50    52  -0.26250  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    50   7.00000 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    52   0.93100 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.20000  1.0 3.0
   41    40    47    49   0.20000  1.0 3.0
   44    40    47    48   0.21900  1.0 1.0
   44    40    47    48  -0.24900 -1.0 2.0
   44    40    47    48   0.15200  1.0 3.0
   44    40    47    49   0.21900  1.0 1.0
   44    40    47    49  -0.24900 -1.0 2.0
   44    40    47    49   0.15200  1.0 3.0
   47    40    44    45   0.30150 -1.0 2.0
   47    40    44    46   0.30150 -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    39    38    42  15.00000 -1.0 2.0
   50    43    42    38  15.00000 -1.0 2.0
   42    52    50    51  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
