* LIGAND DATABASE FILE (OPLS2005)
*
001      52    53     93    140     266
    1     0 S   NP   _N1_     1    28.87067    94.69013   -20.29676
    2     1 S   H    _HN1     2     1.02963    95.00227    32.34205
    3     1 S   H    _H1_     3     1.02836    34.83283   145.22453
    4     1 S   H    _H2_     4     1.02776    81.52800   -75.48712
    5     1 S   CT   _CA1     5     1.50113   143.97466   168.00914
    6     5 S   HC   _HA1     6     1.09570   105.26673    45.45550
    7     5 S   CO3  _C1_     7     1.53837   112.34571   -74.82939
    8     7 S   O2Z  _O11     8     1.26357   115.00360   -43.80108
    9     7 S   O2Z  _O12     9     1.26239   114.92332   135.39739
   10     5 S   CT   _CB1    10     1.53093   107.43544   163.43149
   11    10 S   HC   HB11    11     1.09816   109.45238   -50.07659
   12    10 S   HC   HB12    12     1.09824   110.36363    66.49186
   13    10 S   CT   _CG1    13     1.52993   112.63656  -171.20442
   14    13 S   HC   HG11    14     1.09548   110.36201   -59.72739
   15    13 S   HC   HG12    15     1.09627   110.16323    59.32553
   16    13 S   C    _CD1    16     1.51810   112.12578   179.40488
   17    16 S   O    _OE1    17     1.22724   123.17164   -14.69009
   18    16 S   N    _N2_    18     1.38550   111.71535   166.19110
   19    18 S   H    _HN2    19     1.01606   118.90891     0.90569
   20    18 S   CT1  _CA2    20     1.46243   123.55409  -178.59863
   21    20 S   HC   _HA2    21     1.09725   109.43480   -18.07486
   22    20 S   C    _C2_    22     1.53401   107.93084  -133.80764
   23    22 S   O    _O2_    23     1.22993   122.35144  -143.88361
   24    20 S   CT   _CB2    32     1.53447   111.13893   104.35706
   25    24 S   HC   HB21    33     1.09401   109.18448    52.36098
   26    24 S   HC   HB22    34     1.09506   110.71770   170.60629
   27    22 S   N    _N3_    24     1.38533   113.23281    43.31761
   28    27 S   H    _HN3    25     1.01536   118.93211    -0.38359
   29    24 S   S    _SG2    35     1.83174   111.67313   -70.53143
   30    27 S   CT   _CA3    26     1.45452   123.38854   175.11140
   31    30 S   HC   HA31    27     1.09527   109.14838    25.67129
   32    30 S   HC   HA32    28     1.09491   107.12708   142.68393
   33    29 S   CT   _C8_    36     1.83425   101.50406   144.98104
   34    33 S   Cl   Cl4_    37     1.79838   109.35338   170.20664
   35    30 S   CO3  _C3_    29     1.52946   113.24956   -97.73085
   36    35 S   O2Z  _O31    30     1.26392   115.48325   -41.77202
   37    35 S   O2Z  _O32    31     1.26366   114.92212   139.17947
   38    33 S   CD   _C5_    38     1.50506   108.93622    55.89125
   39    38 S   CM   _C4_    39     1.46107   122.42216  -124.75155
   40    39 S   CM   _C11    40     1.33569   120.80569     0.35991
   41    40 S   Cl   Cl1_    41     1.73529   118.63185   179.64612
   42    39 S   NI   _N5_    46     1.36824   107.38778   180.00000
   43    40 S   CM   _C10    42     1.46358   120.70993    -0.27554
   44    43 S   Cl   Cl2_    43     1.74416   117.99894   179.98022
   45    42 S   CD   _C6_    47     1.30526   103.50958     0.05234
   46    33 S   CM   _C9_    44     1.52186   112.49674   -67.97129
   47    46 S   Cl   Cl3_    45     1.75195   115.20032   -58.36069
   48    38 S   NI   _N4_    48     1.30521   128.62032    55.38439
   49    45 S   CT   _C7_    49     1.49188   124.26643   180.00000
   50    49 S   F    F1__    50     1.35813   111.82351  -119.54644
   51    49 S   F    F2__    51     1.35780   112.67860     0.66588
   52    49 S   F    F3__    52     1.35811   111.84384   120.89583
  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
  11   6   2   1   1  10   9   8   4   7   3   2   5   2   1   4
   3   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    46    47    42    45    48  
   38    39    43    46    47    48  
   36    37  
   37  
    0  
   39    40    41    43    46    47    42    45    48    49  
   40    41    43    44    46    42    45    48    49  
   41    43    44    46    47    42    45    48  
   43    44    46    42  
   45    48    49    50    51    52    43  
   44    46    47  
   46    47  
   48    49    50    51    52  
   47    48  
    0  
   49    50    51    52  
   50    51    52  
   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  -0.175000   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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.7500   0.1050   0.393000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.119200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   43   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   45   3.7500   0.1050   0.779400   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   48   3.2800   0.1700  -0.779400   1.8540   1.6400   0.005000000   0.000000000
   49   3.2500   0.0620   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   51   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   52   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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   245.000  1.781
   33    38   270.000  1.508
   33    46   317.000  1.510
   38    39   320.000  1.464
   38    48   500.000  1.261
   39    40   549.000  1.340
   39    42   405.000  1.380
   40    41   300.000  1.725
   40    43   380.000  1.444
   43    44   300.000  1.725
   43    46   549.000  1.340
   46    47   300.000  1.725
   42    45   500.000  1.261
   45    48   607.899  1.431
   45    49   270.000  1.508
   49    50   367.000  1.332
   49    51   367.000  1.332
   49    52   367.000  1.332
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    85.00000  110.65400
   29    33    38    75.00000  114.43000
   29    33    46    75.00000  112.20000
   33    38    39    65.00000  117.24000
   33    38    48    65.00000  122.10100
   33    46    43    70.00000  124.00000
   33    46    47    75.00000  111.02000
   38    33    34    75.00000  108.18500
   38    39    40    60.00000  120.31500
   38    39    42    70.00000  120.83400
   38    48    45    75.00000  115.59000
   39    40    41    75.00000  121.50000
   39    40    43    70.00000  123.01800
   39    42    45    75.00000  115.77100
   40    43    44    75.00000  121.50000
   40    43    46    70.00000  123.01800
   43    40    41    75.00000  121.50000
   43    46    47    75.00000  121.50000
   46    33    34    75.00000  111.90500
   46    33    38    70.00000  110.51600
   46    43    44    75.00000  121.50000
   42    39    40    70.00000  120.83400
   42    45    48    75.00000  127.75400
   42    45    49    65.00000  122.10100
   45    49    50    85.00000  110.69400
   45    49    51    85.00000  110.69400
   45    49    52    85.00000  110.69400
   48    38    39    70.00000  121.86000
   49    45    48    65.00000  122.10100
   51    49    50    77.00000  109.10000
   52    49    50    77.00000  109.10000
   52    49    51    77.00000  109.10000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    48   0.00000  1.0 1.0
   29    33    46    43   0.42700  1.0 1.0
   29    33    46    43  -0.70350 -1.0 2.0
   29    33    46    43  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   33    38    39    40   0.69550 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    48    45   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    48   0.00000  1.0 1.0
   34    33    46    43   0.09700  1.0 1.0
   34    33    46    43   0.15600 -1.0 2.0
   34    33    46    43  -0.50800  1.0 3.0
   34    33    46    47   0.09700  1.0 1.0
   34    33    46    47   0.15600 -1.0 2.0
   34    33    46    47  -0.50800  1.0 3.0
   38    33    46    43  -0.28300  1.0 1.0
   38    33    46    43   0.26700 -1.0 2.0
   38    33    46    43  -0.63300  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    39    40    41   7.00000 -1.0 2.0
   38    39   -40    43   7.00000 -1.0 2.0
   38    39   -42    45   1.00000 -1.0 2.0
   39    38   -48    45   6.00000 -1.0 2.0
   39    40    43    44  -0.18600  1.0 3.0
   39    40    43    46   0.28850  1.0 1.0
   39    40    43    46   2.61350 -1.0 2.0
   39    40    43    46   0.78400  1.0 3.0
   39    42   -45    48   6.00000 -1.0 2.0
   39    42    45    49   6.00000 -1.0 2.0
   40    39    42    45   1.00000 -1.0 2.0
   40    43   -46    33   7.00000 -1.0 2.0
   40    43    46    47   7.00000 -1.0 2.0
   41    40    43    44   1.08500 -1.0 2.0
   41    40    43    46  -0.18600  1.0 3.0
   44    43    46    33   7.00000 -1.0 2.0
   44    43    46    47   7.00000 -1.0 2.0
   46    33   -38    39  -0.28300  1.0 1.0
   46    33   -38    39   0.26700 -1.0 2.0
   46    33   -38    39  -0.63300  1.0 3.0
   46    33    38    48   0.00000  1.0 1.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    43   7.00000 -1.0 2.0
   42    45   -48    38   0.00050  1.0 1.0
   42    45   -48    38   2.00000 -1.0 2.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    51   0.00000  1.0 1.0
   42    45    49    52   0.00000  1.0 1.0
   48    38    39    40   1.09650  1.0 1.0
   48    38    39    40   0.48950 -1.0 2.0
   48    38    39    40   0.49400  1.0 3.0
   48    38   -39    42   7.00000 -1.0 2.0
   48    45    49    50   0.00000  1.0 1.0
   48    45    49    51   0.00000  1.0 1.0
   48    45    49    52   0.00000  1.0 1.0
   49    45    48    38   0.00050  1.0 1.0
   49    45    48    38   2.00000 -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    39    38    48  10.50000 -1.0 2.0
   38    42    39    40   1.10000 -1.0 2.0
   43    41    40    39   1.10000 -1.0 2.0
   40    44    43    46   1.10000 -1.0 2.0
   33    47    46    43   1.10000 -1.0 2.0
   48    49    45    42  10.50000 -1.0 2.0
END
