* LIGAND DATABASE FILE (OPLS2005)
*
001      52    51     86    128     253
    1     0 S   NP   _N1_     1    29.03829    95.27313   -23.46188
    2     1 S   H    _HN1     2     1.02955    79.85402     7.68687
    3     1 S   H    _H1_     3     1.02826    30.08105   162.35228
    4     1 S   H    _H2_     4     1.02786   105.58528   -98.70531
    5     1 S   CT   _CA1     5     1.50130   134.22635   116.31695
    6     5 S   HC   _HA1     6     1.09575   105.18376    81.92363
    7     5 S   CO3  _C1_     7     1.53778   112.49135   -38.24930
    8     7 S   O2Z  _O11     8     1.26367   115.00946   -41.51021
    9     7 S   O2Z  _O12     9     1.26244   114.94168   137.57278
   10     5 S   CT   _CB1    10     1.53058   107.38512  -160.14044
   11    10 S   HC   HB11    11     1.09833   109.28040   -50.01834
   12    10 S   HC   HB12    12     1.09821   110.45993    66.54649
   13    10 S   CT   _CG1    13     1.52998   112.68393  -171.05126
   14    13 S   HC   HG11    14     1.09584   110.56729   -66.16544
   15    13 S   HC   HG12    15     1.09666   109.87202    53.11955
   16    13 S   C    _CD1    16     1.51774   112.19346   173.44641
   17    16 S   O    _OE1    17     1.22706   123.18979     3.83472
   18    16 S   N    _N2_    18     1.38594   111.68865  -175.91874
   19    18 S   H    _HN2    19     1.01546   118.97663     1.68447
   20    18 S   CT1  _CA2    20     1.46246   123.50495   178.26291
   21    20 S   HC   _HA2    21     1.09506   109.40786     4.30443
   22    20 S   C    _C2_    22     1.53553   108.05594  -110.78530
   23    22 S   O    _O2_    23     1.23041   122.55851  -142.45784
   24    20 S   CT   _CB2    32     1.53286   111.57454   127.09363
   25    24 S   HC   HB21    33     1.09685   109.37469    62.48448
   26    24 S   HC   HB22    34     1.09502   111.06577   179.22317
   27    22 S   N    _N3_    24     1.38442   113.53759    44.31472
   28    27 S   H    _HN3    25     1.01571   119.53633    -1.94320
   29    24 S   S    _SG2    35     1.83165   114.61552   -56.42280
   30    27 S   CT   _CA3    26     1.45262   123.14365   177.46959
   31    30 S   HC   HA31    27     1.09549   107.37609   -67.69200
   32    30 S   HC   HA32    28     1.09558   108.13241    48.74230
   33    29 S   CT   _C10    36     1.84090   101.11051   -67.63564
   34    33 S   HC   _H3_    37     1.08851   104.07091    55.41021
   35    30 S   CO3  _C3_    29     1.52944   114.16680   170.83172
   36    35 S   O2Z  _O31    30     1.26366   116.14468    -1.73754
   37    35 S   O2Z  _O32    31     1.26446   114.38999   178.38432
   38    33 S   CM   _C6_    38     1.51374   109.90265   171.88550
   39    33 S   CM   _C7_    47     1.50181   111.60816   -61.87153
   40    38 S   CM   _C4_    39     1.34509   128.42543  -113.90808
   41    40 S   HC   _H15    40     1.08747   120.78837   179.95577
   42    38 S   CO3  _C9_    44     1.53549   120.02021    67.28534
   43    42 S   O2Z  _O10    45     1.26539   115.31531    97.90505
   44    42 S   O2Z  _O34    46     1.26512   115.35905   -84.47902
   45    39 S   CMA  _C8_    48     1.52363   124.32497   127.59944
   46    45 S   OM   _O8_    49     1.26413   120.06914  -170.48465
   47    45 S   OM   _O9_    50     1.26239   121.81449     9.64524
   48    39 S   OH   _O13    51     1.38390   118.00632   -50.84260
   49    48 S   HO   _H18    52     0.97539   105.00003   179.95154
   50    40 S   CO4  _C5_    41     1.47854   124.94983    -0.35443
   51    50 S   O    _O33    42     1.22684   121.45955   176.78691
   52    50 S   HC   _H16    43     1.09806   117.35844    -3.41742
  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
  14   6   2   1   1  11   7   7   4   3   1   1   4   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    50    42    43    44    39    45    46    47    48    49  
   38    40    42    39    45    48  
   36    37  
   37  
    0  
   40    41    50    51    52    42    43    44    39    45    48  
   45    46    47    48    49    40    42  
   41    50    51    52    42    43    44  
   50    51    52    42  
   43    44    50  
   44  
    0  
   46    47    48    49  
   47    48  
   48  
   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  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   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    39   317.000  1.510
   38    40   549.000  1.340
   38    42   230.000  1.545
   40    41   340.000  1.080
   40    50   320.000  1.462
   50    51   570.000  1.229
   50    52   340.000  1.090
   42    43   656.000  1.250
   42    44   656.000  1.250
   39    45   465.000  1.376
   39    48   510.000  1.338
   45    46   745.000  1.250
   45    47   745.000  1.250
   48    49   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    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  112.20000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.04000
   33    39    45    70.00000  124.00000
   33    39    48    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    50    65.00000  118.96000
   38    42    43    85.00000  113.83300
   38    42    44    85.00000  113.83300
   40    50    51    80.00000  123.72100
   40    50    52    40.00000  115.75000
   50    40    41    40.00000  117.72500
   52    50    51    35.00000  123.00000
   42    38    40    55.00000  124.75400
   44    42    43    80.00000  126.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    47    65.00000  137.10300
   39    48    49    70.00000  107.45700
   47    45    46    65.00000  121.00000
   48    39    45    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    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    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    39    48   0.09700  1.0 1.0
   29    33    39    48   0.15600 -1.0 2.0
   29    33    39    48  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   33    38    42    43  -0.64400  1.0 1.0
   33    38    42    43   0.26850 -1.0 2.0
   33    38    42    44  -0.64400  1.0 1.0
   33    38    42    44   0.26850 -1.0 2.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    47   7.00000 -1.0 2.0
   33    39    48    49   2.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    39    45   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   38    33    39    45  -0.28300  1.0 1.0
   38    33    39    45   0.26700 -1.0 2.0
   38    33    39    45  -0.63300  1.0 3.0
   38    33    39    48   0.09700  1.0 1.0
   38    33    39    48   0.15600 -1.0 2.0
   38    33    39    48  -0.50800  1.0 3.0
   38    40    50    51   1.00000 -1.0 2.0
   38    40    50    52  -0.79650  1.0 1.0
   38    40    50    52   1.60950 -1.0 2.0
   38    40    50    52  -0.26250  1.0 3.0
   40    38    42    43  -0.04000 -1.0 2.0
   40    38    42    43  -0.29050  1.0 3.0
   40    38    42    44  -0.04000 -1.0 2.0
   40    38    42    44  -0.29050  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.93100 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    50   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
   45    39    48    49  -0.66100  1.0 1.0
   45    39    48    49   1.20850 -1.0 2.0
   45    39    48    49  -0.36000  1.0 3.0
   48    39    45    46   7.00000 -1.0 2.0
   48    39    45    47   7.00000 -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    42    38    40  15.00000 -1.0 2.0
   50    41    40    38  15.00000 -1.0 2.0
   40    52    50    51  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
   33    48    39    45  15.00000 -1.0 2.0
   46    47    45    39  15.00000 -1.0 2.0
END
