* LIGAND DATABASE FILE (OPLS2005)
*
001      49    49     86    129     249
    1     0 S   NP   _N1_     1    28.08507    95.42229   -22.23098
    2     1 S   H    _HN1     2     1.02957    84.15912    -6.24560
    3     1 S   H    _H1_     3     1.02835    30.56472   132.56725
    4     1 S   H    _H2_     4     1.02776    97.15102  -114.06367
    5     1 S   CT   _CA1     5     1.50124   139.56531   108.57423
    6     5 S   HC   _HA1     6     1.09574   105.22243    71.93406
    7     5 S   CO3  _C1_     7     1.53789   112.39615   -48.27888
    8     7 S   O2Z  _O11     8     1.26365   114.99626   -43.21770
    9     7 S   O2Z  _O12     9     1.26237   114.93388   135.94058
   10     5 S   CT   _CB1    10     1.53100   107.43020  -170.12614
   11    10 S   HC   HB11    11     1.09826   109.34905   -50.42319
   12    10 S   HC   HB12    12     1.09817   110.41318    66.13931
   13    10 S   CT   _CG1    13     1.53014   112.66726  -171.49631
   14    13 S   HC   HG11    14     1.09594   110.49011   -64.17219
   15    13 S   HC   HG12    15     1.09656   109.92324    55.03057
   16    13 S   C    _CD1    16     1.51834   112.33792   175.41845
   17    16 S   O    _OE1    17     1.22742   123.30052     0.05595
   18    16 S   N    _N2_    18     1.38568   111.68450   179.97202
   19    18 S   H    _HN2    19     1.01559   118.95393     4.97248
   20    18 S   CT1  _CA2    20     1.45849   122.90710   177.89411
   21    20 S   HC   _HA2    21     1.09715   109.01983    22.41618
   22    20 S   C    _C2_    22     1.52881   106.84334   -94.75949
   23    22 S   O    _O2_    23     1.22991   122.95393   -28.04217
   24    20 S   CT   _CB2    32     1.53146   112.14507   145.59441
   25    24 S   HC   HB21    33     1.09543   110.17690    55.17391
   26    24 S   HC   HB22    34     1.09536   110.25050   174.03912
   27    22 S   N    _N3_    24     1.38466   112.65258   154.78727
   28    27 S   H    _HN3    25     1.01665   120.41870    -2.20629
   29    24 S   S    _SG2    35     1.82615   111.19640   -66.00145
   30    27 S   CT   _CA3    26     1.45366   122.40410   178.59319
   31    30 S   HC   HA31    27     1.09569   107.73161   -57.18945
   32    30 S   HC   HA32    28     1.09565   107.67073    59.12092
   33    29 S   CT   _C8_    36     1.83434    99.08414   177.83707
   34    33 S   HC   _H3_    37     1.09361   108.95419    45.84472
   35    30 S   CO3  _C3_    29     1.52873   114.37944  -179.08871
   36    35 S   O2Z  _O31    30     1.26320   116.06776    -1.21338
   37    35 S   O2Z  _O32    31     1.26441   114.40195   178.78969
   38    33 S   CM   _C4_    38     1.49476   108.83487   169.91585
   39    38 S   OS   _O10    39     1.39798   112.05394    95.27704
   40    38 S   CM   _C6_    45     1.34082   126.76330   -87.87933
   41    40 S   Cl   CL12    46     1.72560   122.58961  -178.70790
   42    39 S   CO4  _C5_    40     1.36767   106.52063    13.23872
   43    42 S   O    _O8_    41     1.22387   123.59618   179.66662
   44    40 S   CO3  _C7_    47     1.52920   121.86483     1.25211
   45    44 S   O2Z  _O7_    48     1.26444   115.10536   -72.98731
   46    44 S   O2Z  _O9_    49     1.26391   115.14057   107.18019
   47    33 S   CT   _C9_    42     1.51202   111.43592   -79.70621
   48    47 S   Cl   CL13    43     1.77994   112.00859   150.27140
   49    47 S   HC   _H15    44     1.09328   114.51615    26.38397
  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
  11   7   2   1   1  11   8   6   3   4   3   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    47    48    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    48    49    40    41    44  
   38    39    42    47    48    49    40  
   36    37  
   37  
    0  
   39    42    43    47    48    49    40    41    44    45    46  
   42    43    47    48    49    40    41    44  
   41    44    45    46    42    47  
   44    45    46  
   43    47    48    49  
   47    48    49  
   45    46  
   46  
    0  
   48    49  
   49  
    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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.600000   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   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   2.4200   0.0150   0.103000   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    47   268.000  1.529
   38    39   440.000  1.360
   38    40   549.000  1.340
   39    42   214.000  1.327
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   245.000  1.781
   47    49   340.000  1.090
   40    41   300.000  1.725
   40    44   230.000  1.545
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    47    42    63.00000  111.10000
   33    47    48    69.00000  109.80000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    42    90.00000  114.22900
   38    40    41    75.00000  121.50000
   38    40    44    55.00000  124.75400
   39    42    43    83.00000  123.40000
   39    42    47    81.00000  111.40000
   42    47    48    70.00000  110.66000
   42    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    42    43    80.00000  120.40000
   49    47    48    51.00000  107.60000
   40    38    39    80.00000  120.01400
   40    44    45    85.00000  113.83300
   40    44    46    85.00000  113.83300
   44    40    41    70.00000  115.46000
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    42   0.56750  1.0 1.0
   29    33    47    42  -0.07550 -1.0 2.0
   29    33    47    42   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38   -39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    42  -0.11250  1.0 3.0
   34    33    47    48   0.27000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33   -47    42  -0.98800  1.0 1.0
   38    33   -47    42   0.48800 -1.0 2.0
   38    33   -47    42   0.76800  1.0 3.0
   38    33    47    48   0.56750  1.0 1.0
   38    33    47    48  -0.07550 -1.0 2.0
   38    33    47    48   0.20000  1.0 3.0
   38    33    47    49   0.15000  1.0 3.0
   38    39    42    43   3.00000 -1.0 2.0
   38    39   -42    47   0.82650  1.0 1.0
   38    39   -42    47   1.69000 -1.0 2.0
   38    40    44    45  -0.04000 -1.0 2.0
   38    40    44    45  -0.29050  1.0 3.0
   38    40    44    46  -0.04000 -1.0 2.0
   38    40    44    46  -0.29050  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42   -47    33   0.36750  1.0 3.0
   39    42    47    48   0.40000  1.0 3.0
   39    42    47    49   0.00000  1.0 1.0
   43    42    47    33   0.30150 -1.0 2.0
   43    42    47    48   0.30150 -1.0 2.0
   43    42    47    49   0.00000  1.0 1.0
   47    33   -38    39   0.09700  1.0 1.0
   47    33   -38    39   0.15600 -1.0 2.0
   47    33   -38    39  -0.50800  1.0 3.0
   47    33    38    40   0.09850  1.0 1.0
   47    33    38    40   0.15250 -1.0 2.0
   47    33    38    40  -0.50650  1.0 3.0
   40    38    39    42  -1.93650  1.0 1.0
   40    38    39    42   2.17750 -1.0 2.0
   40    38    39    42  -0.40250  1.0 3.0
   41    40    44    45   1.68800 -1.0 2.0
   41    40    44    46   1.68800 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   39    47    42    43  10.50000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
