* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57     99    150     286
    1     0 S   NP   _N1_     1    28.88106    93.90424   -21.70635
    2     1 S   H    _HN1     2     1.02959    90.40157    27.34771
    3     1 S   H    _H1_     3     1.02844    26.42826   157.41141
    4     1 S   H    _H2_     4     1.02779    94.81469   -81.10534
    5     1 S   CT   _CA1     5     1.50108   136.93269   148.57538
    6     5 S   HC   _HA1     6     1.09573   105.23914    63.31771
    7     5 S   CO3  _C1_     7     1.53778   112.39696   -56.94665
    8     7 S   O2Z  _O11     8     1.26358   114.98979   -43.72477
    9     7 S   O2Z  _O12     9     1.26231   114.92125   135.50307
   10     5 S   CT   _CB1    10     1.53102   107.47222  -178.71184
   11    10 S   HC   HB11    11     1.09825   109.37175   -50.44517
   12    10 S   HC   HB12    12     1.09825   110.42131    66.12474
   13    10 S   CT   _CG1    13     1.53030   112.64667  -171.51293
   14    13 S   HC   HG11    14     1.09591   110.48045   -63.66956
   15    13 S   HC   HG12    15     1.09651   109.96971    55.58236
   16    13 S   C    _CD1    16     1.51785   112.28186   175.98863
   17    16 S   O    _OE1    17     1.22752   123.23120    -0.25944
   18    16 S   N    _N2_    18     1.38675   111.69507   179.62466
   19    18 S   H    _HN2    19     1.01601   119.09691     0.20842
   20    18 S   CT1  _CA2    20     1.46110   123.22213  -179.83687
   21    20 S   HC   _HA2    21     1.09576   109.03468   -14.71730
   22    20 S   C    _C2_    22     1.53439   108.68138  -129.76559
   23    22 S   O    _O2_    23     1.23017   122.15780  -147.96774
   24    20 S   CT   _CB2    32     1.53473   111.92068   107.70255
   25    24 S   HC   HB21    33     1.09653   109.55815    61.60217
   26    24 S   HC   HB22    34     1.09571   110.95027   178.99322
   27    22 S   N    _N3_    24     1.38490   113.39034    39.66147
   28    27 S   H    _HN3    25     1.01520   118.90351    -0.84256
   29    24 S   S    _SG2    35     1.82759   114.56064   -58.15385
   30    27 S   CT   _CA3    26     1.45450   123.47506   174.39734
   31    30 S   HC   HA31    27     1.09521   109.21995    24.46019
   32    30 S   HC   HA32    28     1.09489   107.12131   141.54100
   33    29 S   CT   _C10    36     1.81536    99.74579   -69.82011
   34    33 S   HC   _H9_    37     1.09409   109.64639   -65.75410
   35    33 S   HC   _H10    38     1.09208   111.39653    55.17676
   36    30 S   CO3  _C3_    29     1.52960   113.17274   -98.94335
   37    36 S   O2Z  _O31    30     1.26403   115.48564   -40.71241
   38    36 S   O2Z  _O32    31     1.26363   114.91318   140.17993
   39    33 S   CD   _C5_    39     1.51312   108.35705   174.51599
   40    39 S   CT   _C4_    40     1.51849   117.23853   -84.45689
   41    40 S   HC   _H3_    41     1.09445   108.72561   -57.98406
   42    40 S   HC   _H4_    42     1.09404   109.23711    60.29735
   43    40 S   NE   _N7_    43     1.43878   110.54165  -178.71458
   44    43 S   H    _H6_    44     1.01403   119.44549   179.50465
   45    43 S   CM   _C9_    45     1.38260   124.55425    -2.47132
   46    45 S   CM   _C6_    46     1.35416   116.87504     1.57582
   47    46 S   C    _C7_    47     1.49020   118.22610  -179.96574
   48    47 S   O    _O33    48     1.22777   122.23219  -179.91607
   49    39 S   NI   _N4_    56     1.30022   118.14006    94.94679
   50    47 S   N    _N5_    49     1.37451   114.40356     0.04846
   51    50 S   H    _H5_    50     1.01351   117.79091   179.96574
   52    50 S   CDX  _C8_    51     1.37738   123.26641    -0.10279
   53    45 S   NI   _N6_    52     1.38122   119.99956  -178.44392
   54    52 S   NE   _N8_    53     1.36596   115.96214  -179.92867
   55    54 S   H    _H7_    54     1.01376   120.41565  -179.97202
   56    54 S   H    _H8_    55     1.01283   122.06262    -0.01978
  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   6   5   4   3
   9   4   3   2   1   1   9   8   5   4   7   3   8   7   7   4
   2   6   3   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    49  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49  
   41    42    43    44    45    46    53    49  
   42    43    44    45    49  
   43    44    45    49  
   44    45    46    47    52    53    49  
   45    46    53  
   46    47    48    50    52    53    54    49  
   47    48    50    51    52    53    49  
   48    50    51    52    53    54    49  
   50    51    52    49  
   50    53  
   51    52    53    54    55    56  
   52    53    54  
   53    54    55    56  
   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   0.047500   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   0.083600   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.151400   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.065800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   50   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   53   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   54   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   270.000  1.508
   39    40   270.000  1.508
   39    49   500.000  1.261
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   382.000  1.448
   43    44   434.000  1.010
   43    45   425.000  1.378
   45    46   549.000  1.340
   45    53   405.000  1.380
   46    47   410.000  1.444
   46    49   405.000  1.380
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   400.000  1.380
   52    53   650.000  1.285
   52    54   445.000  1.380
   54    55   434.000  1.010
   54    56   434.000  1.010
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    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    35    35.00000  109.50000
   29    33    39    75.00000  114.43000
   33    39    40    65.00000  114.98000
   33    39    49    65.00000  122.10100
   35    33    34    33.00000  107.80000
   39    33    34    45.00000  109.49600
   39    33    35    45.00000  109.49600
   39    40    41    45.00000  109.49600
   39    40    42    45.00000  109.49600
   39    40    43    80.00000  112.42400
   39    49    46    75.00000  115.77100
   40    43    44    35.00000  112.50000
   40    43    45    50.00000  121.00000
   42    40    41    33.00000  107.80000
   43    40    41    35.00000  109.50000
   43    40    42    35.00000  109.50000
   43    45    46    70.00000  124.03900
   43    45    53    85.00000  113.56000
   45    43    44    35.00000  114.50000
   45    46    47    70.00000  118.70000
   45    46    49    70.00000  120.83400
   45    53    52    70.00000  116.49400
   46    47    48    80.00000  125.30000
   46    47    50    80.00000  111.56200
   47    50    51    35.00000  119.80000
   47    50    52    70.00000  120.51600
   50    47    48    80.00000  122.90000
   50    52    53    80.00000  119.04400
   50    52    54    85.00000  111.44000
   52    50    51    45.00000  120.05200
   52    54    55    35.00000  119.50000
   52    54    56    35.00000  119.50000
   53    45    46    70.00000  120.83400
   54    52    53    75.00000  124.36500
   56    54    55    35.00000  109.00000
   49    39    40    65.00000  122.10100
   49    46    47    70.00000  120.00000
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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.30250  1.0 1.0
   29    33    39    40  -0.14950 -1.0 2.0
   29    33    39    40   0.36900  1.0 3.0
   29    33    39    49   0.00000  1.0 1.0
   33    39    40    41   0.00000  1.0 1.0
   33    39    40    42   0.00000  1.0 1.0
   33    39    40    43   0.00000  1.0 1.0
   33    39    49    46   6.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    43    44  -0.12500  1.0 1.0
   39    40    43    44  -0.12500 -1.0 2.0
   39    40    43    44   0.25000  1.0 3.0
   39    40    43    45  -0.12500  1.0 1.0
   39    40    43    45  -0.12500 -1.0 2.0
   39    40    43    45   0.25000  1.0 3.0
   40    39    49    46   6.00000 -1.0 2.0
   40    43   -45    46  -0.54700  1.0 1.0
   40    43   -45    46   1.23000 -1.0 2.0
   40    43    45    53   1.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   42    40    43    44   0.00000  1.0 1.0
   42    40    43    45   0.00000  1.0 1.0
   43    45    46    47   7.00000 -1.0 2.0
   43    45    46    49   7.00000 -1.0 2.0
   43    45    53    52   1.00000 -1.0 2.0
   44    43    45    46   1.00000 -1.0 2.0
   44    43    45    53   1.00000 -1.0 2.0
   45    46    47    48   1.00000 -1.0 2.0
   45    46    47    50   0.49500  1.0 1.0
   45    46    47    50   1.31600 -1.0 2.0
   45    46    47    50  -0.02300  1.0 3.0
   45    46   -49    39   1.00000 -1.0 2.0
   46    45    53    52   1.00000 -1.0 2.0
   46    47    50    51   2.56700 -1.0 2.0
   46    47   -50    52   2.45000 -1.0 2.0
   47    46    49    39   1.00000 -1.0 2.0
   47    50    52    53  -0.56400  1.0 1.0
   47    50    52    53   0.77500 -1.0 2.0
   47    50    52    53   0.18700  1.0 3.0
   47    50    52    54  -0.56400  1.0 1.0
   47    50    52    54   0.77500 -1.0 2.0
   47    50    52    54   0.18700  1.0 3.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   2.67200 -1.0 2.0
   50    52   -53    45   6.00000 -1.0 2.0
   50    52    54    55   1.00000 -1.0 2.0
   50    52    54    56   1.00000 -1.0 2.0
   51    50    52    53   1.00000 -1.0 2.0
   51    50    52    54   1.00000 -1.0 2.0
   53    45   -46    47   7.00000 -1.0 2.0
   53    45    46    49   7.00000 -1.0 2.0
   53    52    54    55   1.50000 -1.0 2.0
   53    52    54    56   1.50000 -1.0 2.0
   54    52    53    45   6.00000 -1.0 2.0
   49    39    40    41   0.00000  1.0 1.0
   49    39    40    42   0.00000  1.0 1.0
   49    39   -40    43   0.00000  1.0 1.0
   49    46    47    48  -0.52200  1.0 1.0
   49    46    47    48   0.82950 -1.0 2.0
   49    46    47    50   1.50000 -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
   33    40    39    49  10.50000 -1.0 2.0
   44    45    43    40   1.00000 -1.0 2.0
   43    53    45    46   1.10000 -1.0 2.0
   47    49    46    45   1.10000 -1.0 2.0
   46    50    47    48  10.50000 -1.0 2.0
   51    47    50    52   1.00000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   56    52    54    55   1.00000 -1.0 2.0
END
