* LIGAND DATABASE FILE (OPLS2005)
*
001      54    55     97    153     283
    1     0 S   NP   _N1_     1    29.02328    95.31606   -23.53705
    2     1 S   H    _HN1     2     1.02946    81.30277    -4.48642
    3     1 S   H    _H1_     3     1.02830    29.41642   146.62161
    4     1 S   H    _H2_     4     1.02789   103.80227  -111.38728
    5     1 S   CT   _CA1     5     1.50112   135.04719   105.80750
    6     5 S   HC   _HA1     6     1.09565   105.21103    79.31376
    7     5 S   CO3  _C1_     7     1.53830   112.44082   -41.01053
    8     7 S   O2Z  _O11     8     1.26384   115.00669   -42.00267
    9     7 S   O2Z  _O12     9     1.26228   114.95927   137.12656
   10     5 S   CT   _CB1    10     1.53066   107.43444  -162.58863
   11    10 S   HC   HB11    11     1.09833   109.57008   -48.39602
   12    10 S   HC   HB12    12     1.09787   110.34625    68.19664
   13    10 S   CT   _CG1    13     1.52991   112.57945  -169.26564
   14    13 S   HC   HG11    14     1.09578   110.68709   -63.13341
   15    13 S   HC   HG12    15     1.09652   109.79568    56.15359
   16    13 S   C    _CD1    16     1.51732   112.12496   176.87801
   17    16 S   O    _OE1    17     1.22754   123.23187     8.98966
   18    16 S   N    _N2_    18     1.38651   111.82173  -171.76694
   19    18 S   H    _HN2    19     1.01577   119.10236     3.43399
   20    18 S   CT1  _CA2    20     1.46089   123.21303  -179.05747
   21    20 S   HC   _HA2    21     1.09581   109.09099     5.45568
   22    20 S   C    _C2_    22     1.53540   109.52722  -109.85918
   23    22 S   O    _O2_    23     1.23087   122.03203  -151.39165
   24    20 S   CT   _CB2    32     1.53442   111.73559   127.37221
   25    24 S   HC   HB21    33     1.09659   109.53664    67.36798
   26    24 S   HC   HB22    34     1.09572   110.85151  -175.37712
   27    22 S   N    _N3_    24     1.38249   113.93716    36.09576
   28    27 S   H    _HN3    25     1.01569   119.61344    -3.50744
   29    24 S   S    _SG2    35     1.82808   114.66309   -52.04605
   30    27 S   CT   _CA3    26     1.45291   123.23265   177.03008
   31    30 S   HC   HA31    27     1.09549   107.53874   -63.95435
   32    30 S   HC   HA32    28     1.09556   107.95850    52.48769
   33    29 S   CT   _C12    36     1.83056   100.20022   -67.67297
   34    33 S   HC   _H3_    37     1.09515   107.57476   -64.02372
   35    33 S   HC   _H4_    38     1.09353   108.89475    53.00478
   36    30 S   CO3  _C3_    29     1.52964   114.06155   174.47182
   37    36 S   O2Z  _O31    30     1.26379   116.05839    -0.31027
   38    36 S   O2Z  _O32    31     1.26422   114.42056   179.74436
   39    33 S   CT   _C11    39     1.53065   113.59020   174.46735
   40    39 S   HC   _H17    40     1.09752   109.65491   178.34554
   41    39 S   CA   _C8_    41     1.50428   115.73975   -58.74889
   42    39 S   C    _C10    53     1.54230   113.31004    59.08100
   43    42 S   O    _O33    54     1.22123   125.90264    53.84589
   44    41 S   CA   _C6_    42     1.38245   130.18640   -55.89257
   45    44 S   HA   _H15    43     1.08427   121.43241     0.05595
   46    44 S   CA   _C4_    44     1.39798   118.01897   179.95154
   47    46 S   HA   _H13    45     1.08699   119.69869  -179.70859
   48    46 S   CA   _C5_    46     1.40700   120.89877     0.27976
   49    48 S   HA   _H14    47     1.08707   119.40947  -179.78330
   50    48 S   CA   _C7_    48     1.39624   120.75826     0.21489
   51    50 S   HA   _H16    49     1.08374   120.89222   179.96044
   52    41 S   CA   _C9_    50     1.39381   109.29224   124.71665
   53    52 S   N    _N10    51     1.39046   109.88782    -0.39366
   54    53 S   H    _H20    52     1.01222   123.98389  -179.49101
  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   7   5   4   3
  10   5   4   2   1   1  11   6  12   6   3   8   4   6   3   5
   3   4   2   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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    52    53    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    46    50    52    53    54    42    43  
   41    44    52    53    42    43  
   44    45    46    47    48    50    51    52    53    54    42    43  
   43    44    50    52    53    54  
   52    53    54  
   45    46    47    48    49    50    52    53  
   46    47    48    52  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    52    53  
   50    51    52  
   51    52    53    54  
   52    53  
   53    54  
   54  
    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   0.047500   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.522
   41    44   469.000  1.400
   41    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   360.000  1.404
   53    54   434.000  1.010
   53    42   490.000  1.335
   42    43   570.000  1.229
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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    70.00000  120.00000
   39    41    52    70.00000  120.00000
   39    42    53    70.00000  116.60000
   39    42    43    80.00000  120.40000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  120.00000
   41    44    46    63.00000  120.00000
   41    52    50    63.00000  120.00000
   41    52    53    70.00000  119.01900
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    70.00000  119.01900
   52    41    44    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    45.00000  118.23600
   52    53    42    65.00000  121.96500
   53    42    43    80.00000  122.90000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  109.44300
   42    53    54    35.00000  119.80000
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   0.01700  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.04150 -1.0 2.0
   33    39    41    52   0.04150 -1.0 2.0
   33    39    42    53   1.39750  1.0 1.0
   33    39    42    53  -0.07950 -1.0 2.0
   33    39    42    53  -0.18750  1.0 3.0
   33    39    42    43   0.30150 -1.0 2.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.43200  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.43200  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    41    44    45   3.62500 -1.0 2.0
   39    41    44    46   3.62500 -1.0 2.0
   39    41    52    50   3.62500 -1.0 2.0
   39    41   -52    53   3.62500 -1.0 2.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    41    52   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   41    39   -42    53   0.00000  1.0 1.0
   41    39    42    43   0.30150 -1.0 2.0
   41    44    46    47   3.62500 -1.0 2.0
   41    44    46    48   3.62500 -1.0 2.0
   41    52    53    54   0.97800 -1.0 2.0
   41    52   -53    42   1.00100  1.0 1.0
   41    52   -53    42   0.85050 -1.0 2.0
   44    41    52    50   3.62500 -1.0 2.0
   44    41    52    53   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46   -48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48    50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50   -52    41   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   0.97800 -1.0 2.0
   50    52    53    42   1.00100  1.0 1.0
   50    52    53    42   0.85050 -1.0 2.0
   51    50    52    41   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   52    41    44    45   3.62500 -1.0 2.0
   52    41   -44    46   3.62500 -1.0 2.0
   52    53   -42    39   0.76000  1.0 1.0
   52    53   -42    39   4.11600 -1.0 2.0
   52    53    42    43   0.04000 -1.0 2.0
   54    53    42    39   2.45000 -1.0 2.0
   54    53    42    43   2.45000 -1.0 2.0
   42    39    41    44   0.04300 -1.0 2.0
   42    39   -41    52   0.04300 -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
   38    30    36    37  10.50000 -1.0 2.0
   44    52    41    39   4.00000 -1.0 2.0
   46    45    44    41   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   50    53    52    41   4.00000 -1.0 2.0
   54    42    53    52   1.00000 -1.0 2.0
   39    53    42    43  10.50000 -1.0 2.0
END
