* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    138     267
    1     0 S   NP   _N1_     1    28.00724    96.14824   -22.95543
    2     1 S   H    _HN1     2     1.02958    80.94815    -9.17323
    3     1 S   H    _H1_     3     1.02837    30.45292   139.76492
    4     1 S   H    _H2_     4     1.02776   102.47567  -116.09168
    5     1 S   CT   _CA1     5     1.50134   136.55598   101.00465
    6     5 S   HC   _HA1     6     1.09574   105.21211    79.02190
    7     5 S   CO3  _C1_     7     1.53773   112.34585   -41.16724
    8     7 S   O2Z  _O11     8     1.26365   114.98663   -44.15213
    9     7 S   O2Z  _O12     9     1.26230   114.93116   134.89837
   10     5 S   CT   _CB1    10     1.53091   107.42231  -163.07185
   11    10 S   HC   HB11    11     1.09829   109.31163   -50.50407
   12    10 S   HC   HB12    12     1.09815   110.43865    66.04253
   13    10 S   CT   _CG1    13     1.53029   112.68621  -171.56641
   14    13 S   HC   HG11    14     1.09593   110.51825   -64.85502
   15    13 S   HC   HG12    15     1.09658   109.89653    54.35614
   16    13 S   C    _CD1    16     1.51843   112.27558   174.72185
   17    16 S   O    _OE1    17     1.22758   123.26933     1.71086
   18    16 S   N    _N2_    18     1.38552   111.75095  -178.25482
   19    18 S   H    _HN2    19     1.01567   119.11796     3.86300
   20    18 S   CT1  _CA2    20     1.45863   122.83732   177.85461
   21    20 S   HC   _HA2    21     1.09724   108.87160    26.08957
   22    20 S   C    _C2_    22     1.52940   106.89046   -91.03291
   23    22 S   O    _O2_    23     1.22997   123.00977   -27.97196
   24    20 S   CT   _CB2    32     1.53145   112.22742   149.31571
   25    24 S   HC   HB21    33     1.09518   110.09559    55.14500
   26    24 S   HC   HB22    34     1.09540   110.20934   173.94579
   27    22 S   N    _N3_    24     1.38496   112.65317   154.68529
   28    27 S   H    _HN3    25     1.01667   120.36824    -1.83845
   29    24 S   S    _SG2    35     1.82454   111.23266   -66.06820
   30    27 S   CT   _CA3    26     1.45364   122.38737   178.71519
   31    30 S   HC   HA31    27     1.09570   107.67277   -58.25667
   32    30 S   HC   HA32    28     1.09567   107.71605    58.03660
   33    29 S   CT   _C8_    36     1.81273    99.12839   178.06326
   34    33 S   HC   _H4_    37     1.09392   113.19296    34.92463
   35    30 S   CO3  _C3_    29     1.52871   114.41861   179.85463
   36    35 S   O2Z  _O31    30     1.26319   116.08279    -1.96214
   37    35 S   O2Z  _O32    31     1.26445   114.39939   178.05831
   38    33 S   CM   _C6_    38     1.48647   111.00951   161.08712
   39    38 S   CT   _C5_    39     1.48976   110.37524   109.31249
   40    39 S   HC   _H3_    40     1.09501   111.05752   125.03522
   41    38 S   CMA  _C7_    50     1.51852   123.62644   -86.99678
   42    41 S   OM   _O33    51     1.26250   121.14412  -175.19148
   43    41 S   OM   _O34    52     1.26300   121.08265     4.79395
   44    39 S   OS   _O36    41     1.43695   104.31555     9.64532
   45    39 S   CT   _C4_    44     1.52676   112.88528  -108.06559
   46    45 S   HC   _H5_    45     1.09815   110.02332    66.91878
   47    45 S   HC   _H6_    46     1.09697   110.20183   -51.55534
   48    33 S   CO4  _C9_    42     1.50495   109.75289   -87.56244
   49    48 S   O    _O35    43     1.22450   125.21871    65.17222
   50    45 S   CO3  _C10    47     1.53340   115.40877  -172.23305
   51    50 S   O2Z  _O38    48     1.26128   117.05179     3.95101
   52    50 S   O2Z  _O37    49     1.26641   114.01279  -176.04601
  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  12  13   7   5   1   1   6   6   4   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    48    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    45    41    42    43  
   38    39    44    48    49    41  
   36    37  
   37  
    0  
   39    40    44    48    49    45    46    47    50    41    42    43  
   40    44    48    49    45    46    47    50    51    52    41    42    43  
   44    48    45    46    47    50    41  
   42    43    44    45    48  
   43  
    0  
   48    49    45    46    47    50  
   46    47    50    51    52    48  
   47    50    51    52  
   50    51    52  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    48   317.000  1.522
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    44   320.000  1.410
   39    45   268.000  1.529
   44    48   214.000  1.327
   48    49   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.522
   50    51   656.000  1.250
   50    52   656.000  1.250
   41    42   745.000  1.250
   41    43   745.000  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    48    75.00000  110.18000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    48    44    81.00000  111.40000
   33    48    49    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    44    85.00000  110.90400
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    48    83.00000  116.90000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    50    70.00000  109.69300
   44    39    40    35.00000  109.50000
   44    48    49    83.00000  123.40000
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  109.06800
   45    39    40    37.50000  110.70000
   45    39    44    50.00000  109.50000
   45    50    51    70.00000  117.00000
   45    50    52    70.00000  117.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   52    50    51    80.00000  126.00000
   41    38    39    70.00000  124.00000
   43    41    42    65.00000  121.00000
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    48    44   0.40000  1.0 3.0
   29    33    48    49   0.30150 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38   -39    44   0.09700  1.0 1.0
   33    38   -39    44   0.15600 -1.0 2.0
   33    38   -39    44  -0.50800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    48    44   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33   -48    44   0.40000  1.0 3.0
   38    33    48    49   0.30150 -1.0 2.0
   38    39   -44    48  -0.82050  1.0 1.0
   38    39   -44    48   0.00600 -1.0 2.0
   38    39   -44    48   0.04400  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    50  -0.98800  1.0 1.0
   38    39    45    50   0.48800 -1.0 2.0
   38    39    45    50   0.76800  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44   -48    33   1.63150  1.0 1.0
   39    44   -48    33   2.92000 -1.0 2.0
   39    44    48    49   3.00000 -1.0 2.0
   39    45    50    51   0.41150 -1.0 2.0
   39    45    50    52   0.41150 -1.0 2.0
   40    39    44    48   0.08050  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    50  -0.11250  1.0 3.0
   44    39    45    46   0.23400  1.0 3.0
   44    39    45    47   0.23400  1.0 3.0
   44    39    45    50  -3.35100  1.0 1.0
   44    39    45    50  -0.37050 -1.0 2.0
   44    39    45    50   0.22400  1.0 3.0
   48    33   -38    39   0.17250  1.0 1.0
   48    33   -38    39  -0.04100 -1.0 2.0
   48    33   -38    39  -0.33850  1.0 3.0
   48    33    38    41  -0.51250  1.0 1.0
   48    33    38    41  -0.88800 -1.0 2.0
   48    33    38    41   0.08850  1.0 3.0
   45    39    44    48  -0.25900  1.0 1.0
   45    39    44    48  -0.47000 -1.0 2.0
   45    39    44    48   0.11750  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   47    45    50    51   0.00000  1.0 1.0
   47    45    50    52   0.00000  1.0 1.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    44   0.39000  1.0 1.0
   41    38    39    44  -0.05800 -1.0 2.0
   41    38    39    44  -0.55150  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
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    41   1.10000 -1.0 2.0
   33    44    48    49  10.50000 -1.0 2.0
   51    45    50    52  10.50000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
