* LIGAND DATABASE FILE (OPLS2005)
*
001      56    55     96    129     271
    1     0 S   NP   _N1_     1    28.64654    94.66035   -23.03545
    2     1 S   H    _HN1     2     1.02957    85.38066    11.77311
    3     1 S   H    _H1_     3     1.02834    26.68147   156.55011
    4     1 S   H    _H2_     4     1.02777   101.31676   -96.01698
    5     1 S   CT   _CA1     5     1.50131   134.75042   126.10558
    6     5 S   HC   _HA1     6     1.09576   105.21206    73.31862
    7     5 S   CO3  _C1_     7     1.53779   112.28127   -46.85691
    8     7 S   O2Z  _O11     8     1.26365   114.99177   -45.49214
    9     7 S   O2Z  _O12     9     1.26222   114.92260   133.46712
   10     5 S   CT   _CB1    10     1.53077   107.39599  -168.81482
   11    10 S   HC   HB11    11     1.09829   109.33477   -50.45330
   12    10 S   HC   HB12    12     1.09814   110.45193    66.10743
   13    10 S   CT   _CG1    13     1.52989   112.65541  -171.49135
   14    13 S   HC   HG11    14     1.09602   110.52913   -64.61112
   15    13 S   HC   HG12    15     1.09668   109.93034    54.59567
   16    13 S   C    _CD1    16     1.51852   112.23761   174.98632
   17    16 S   O    _OE1    17     1.22711   123.32474     1.95825
   18    16 S   N    _N2_    18     1.38539   111.57818  -177.88882
   19    18 S   H    _HN2    19     1.01540   118.65567     1.53926
   20    18 S   CT1  _CA2    20     1.46257   123.69251   179.65170
   21    20 S   HC   _HA2    21     1.09707   109.36936     2.40648
   22    20 S   C    _C2_    22     1.53535   108.64335  -113.56246
   23    22 S   O    _O2_    23     1.23056   122.11574  -145.91070
   24    20 S   CT   _CB2    32     1.53164   111.42588   124.37153
   25    24 S   HC   HB21    33     1.09458   110.06174    59.21202
   26    24 S   HC   HB22    34     1.09502   110.94249   177.76647
   27    22 S   N    _N3_    24     1.38442   113.73495    41.16340
   28    27 S   H    _HN3    25     1.01472   119.01160    -0.11364
   29    24 S   S    _SG2    35     1.81969   112.31299   -61.56707
   30    27 S   CT   _CA3    26     1.45437   123.50114   176.25211
   31    30 S   HC   HA31    27     1.09522   109.35901    22.12570
   32    30 S   HC   HA32    28     1.09505   107.07309   139.05420
   33    29 S   P2   _P1_    36     2.12505   104.54302   160.32188
   34    33 S   O2Z  _O37    37     1.51307   105.74409    64.74985
   35    33 S   O2Z  _O36    38     1.51296   106.32837  -165.81457
   36    30 S   CO3  _C3_    29     1.52873   113.02766  -101.52858
   37    36 S   O2Z  _O31    30     1.26408   115.33764   -46.58288
   38    36 S   O2Z  _O32    31     1.26345   115.02329   134.36648
   39    33 S   OS   _O35    39     1.63505   106.60027   -49.67756
   40    39 S   CT   _C9_    40     1.42294   119.40761   -67.23924
   41    40 S   HC   _H10    41     1.09405   108.91492   -65.01105
   42    40 S   HC   _H11    42     1.09294   109.24344    54.11169
   43    40 S   CT   _C8_    43     1.52144   108.72065   175.12922
   44    43 S   HC   _H8_    44     1.09569   111.37630   174.73013
   45    43 S   HC   _H9_    45     1.09500   110.14664    55.04746
   46    43 S   OS   _O34    46     1.44197   110.84586   -62.25124
   47    46 S   CO4  _C7_    47     1.35859   117.38111   -81.31958
   48    47 S   O    _O33    48     1.22250   126.05407     0.95491
   49    47 S   CM   _C5_    49     1.48942   109.62193  -179.77358
   50    49 S   CM   _C6_    50     1.34147   117.37470   173.53252
   51    50 S   HC   _H6_    51     1.08566   120.90243   179.37976
   52    50 S   HC   _H7_    52     1.08528   122.53542    -0.49811
   53    49 S   CT   _C4_    53     1.49750   120.15119    -7.35506
   54    53 S   HC   _H3_    54     1.09481   110.64678   -56.70073
   55    53 S   HC   _H4_    55     1.09484   110.58092    63.80165
   56    53 S   HC   _H5_    56     1.09540   111.86136  -176.34104
  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   5   5   4   3
   7   3   2   2   1   1   7   7   5   4   6   3   2   5   9   3
   7   6   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46  
   41    42    43    44    45    46    47  
   42    43    44    45    46  
   43    44    45    46  
   44    45    46    47    48    49  
   45    46    47  
   46    47  
   47    48    49    50    53  
   48    49    50    51    52    53    54    55    56  
   49    50    53  
   50    51    52    53    54    55    56  
   51    52    53    54    55    56  
   52    53  
   53  
   54    55    56  
   55    56  
   56  
    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  -0.112500   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  -0.105000   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   3.7400   0.2000   1.447500   2.1070   1.8700   0.005000000   0.000000000
   34   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   35   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   145.000  2.163
   33    34   525.000  1.480
   33    35   525.000  1.480
   33    39   230.000  1.697
   39    40   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   320.000  1.410
   46    47   214.000  1.327
   47    48   570.000  1.229
   47    49   320.000  1.462
   49    50   549.000  1.340
   49    53   317.000  1.510
   50    51   340.000  1.080
   50    52   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    75.00000  100.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  114.00000
   29    33    35    80.00000  114.00000
   29    33    39    85.00000  111.00000
   33    39    40   100.00000  120.50000
   35    33    34   140.00000  119.90000
   39    33    34   100.00000  108.23000
   39    33    35   100.00000  108.23000
   39    40    41    35.00000  109.50000
   39    40    42    35.00000  109.50000
   39    40    43    50.00000  109.50000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    50.00000  109.50000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    46    47    83.00000  116.90000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    47    48    83.00000  123.40000
   46    47    49    90.00000  111.29400
   47    49    50    65.00000  118.96000
   47    49    53    65.00000  116.34900
   49    47    48    80.00000  123.72100
   49    50    51    35.00000  120.00000
   49    50    52    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   52    50    51    35.00000  117.00000
   53    49    50    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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   0.00000  1.0 1.0
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.15000  1.0 3.0
   24    29    33    35   0.15000  1.0 3.0
   24    29    33    39   0.15000  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    39    40    41   0.03000  1.0 3.0
   33    39    40    42   0.03000  1.0 3.0
   33    39    40    43  -2.65550  1.0 1.0
   33    39    40    43  -0.22350 -1.0 2.0
   33    39    40    43   0.24150  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   39    40    43    44   0.23400  1.0 3.0
   39    40    43    45   0.23400  1.0 3.0
   39    40    43    46   1.11900  1.0 1.0
   39    40    43    46  -1.16350 -1.0 2.0
   39    40    43    46  -0.34150  1.0 3.0
   40    43    46    47  -0.25900  1.0 1.0
   40    43    46    47  -0.47000 -1.0 2.0
   40    43    46    47   0.11750  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45   0.15000  1.0 3.0
   42    40    43    46   0.23400  1.0 3.0
   43    46    47    48   3.00000 -1.0 2.0
   43    46    47    49   2.00000 -1.0 2.0
   44    43    46    47   0.08050  1.0 3.0
   45    43    46    47   0.08050  1.0 3.0
   46    47    49    50  -0.56150  1.0 1.0
   46    47    49    50   2.19150 -1.0 2.0
   46    47    49    53  -0.15000  1.0 1.0
   46    47    49    53   0.89550 -1.0 2.0
   46    47    49    53  -0.06900  1.0 3.0
   47    49    50    51   7.00000 -1.0 2.0
   47    49    50    52   7.00000 -1.0 2.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    56   0.15000  1.0 3.0
   48    47    49    50   1.00000 -1.0 2.0
   48    47    49    53  -0.64400  1.0 1.0
   48    47    49    53   0.26850 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    56   0.00000  1.0 1.0
   53    49    50    51   7.00000 -1.0 2.0
   53    49    50    52   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   46    49    47    48  10.50000 -1.0 2.0
   47    53    49    50  15.00000 -1.0 2.0
   51    52    50    49  15.00000 -1.0 2.0
END
