* LIGAND DATABASE FILE (OPLS2005)
*
001      54    55     95    147     274
    1     0 S   NP   _N1_     1    28.78213    93.37760   -20.75003
    2     1 S   H    _HN1     2     1.02955    96.91769    35.15221
    3     1 S   H    _H1_     3     1.02841    23.95563   152.45692
    4     1 S   H    _H2_     4     1.02795    91.45351   -73.39550
    5     1 S   CT   _CA1     5     1.50150   134.46718   163.03273
    6     5 S   HC   _HA1     6     1.09587   105.17338    54.86254
    7     5 S   CO3  _C1_     7     1.53640   112.19251   -65.07512
    8     7 S   O2Z  _O11     8     1.26422   115.25332   -49.60059
    9     7 S   O2Z  _O12     9     1.26206   115.00213   129.63133
   10     5 S   CT   _CB1    10     1.53095   107.33794   172.40343
   11    10 S   HC   HB11    11     1.09819   108.98809   -51.82489
   12    10 S   HC   HB12    12     1.09823   110.54046    64.54058
   13    10 S   CT   _CG1    13     1.53095   112.92708  -173.08670
   14    13 S   HC   HG11    14     1.09561   110.29351   -65.33598
   15    13 S   HC   HG12    15     1.09635   110.17379    53.79701
   16    13 S   C    _CD1    16     1.51934   112.02059   173.53926
   17    16 S   O    _OE1    17     1.22773   123.02965   -12.70731
   18    16 S   N    _N2_    18     1.38625   112.03405   168.47663
   19    18 S   H    _HN2    19     1.01588   119.11241    -0.29409
   20    18 S   CT1  _CA2    20     1.46428   123.25828  -179.78330
   21    20 S   HC   _HA2    21     1.09738   109.27674   -14.99670
   22    20 S   C    _C2_    22     1.53415   108.36052  -130.63343
   23    22 S   O    _O2_    23     1.23015   122.24367  -146.57548
   24    20 S   CT   _CB2    32     1.53546   111.53732   107.12067
   25    24 S   HC   HB21    33     1.09365   109.14525    56.92536
   26    24 S   HC   HB22    34     1.09509   110.74785   175.05700
   27    22 S   N    _N3_    24     1.38512   113.35664    40.83877
   28    27 S   H    _HN3    25     1.01532   118.88456    -0.68214
   29    24 S   S    _SG2    35     1.82841   111.29760   -65.70626
   30    27 S   CT   _CA3    26     1.45449   123.49428   175.10255
   31    30 S   HC   HA31    27     1.09520   109.28204    23.44280
   32    30 S   HC   HA32    28     1.09496   107.10993   140.45576
   33    29 S   CT   _C10    36     1.82005   100.94164   151.72144
   34    33 S   HC   _H8_    37     1.09554   107.71334   177.11574
   35    33 S   HC   _H9_    38     1.09551   108.25768    61.96054
   36    30 S   CO3  _C3_    29     1.52923   113.08801  -100.06516
   37    36 S   O2Z  _O31    30     1.26405   115.39806   -44.53401
   38    36 S   O2Z  _O32    31     1.26354   114.98739   136.39538
   39    33 S   C5BC _C5_    39     1.49098   113.72604   -61.90226
   40    39 S   C5A  _C4_    40     1.38749   125.42801   118.79437
   41    40 S   HA   _H3_    41     1.08156   130.95475     0.10835
   42    40 S   NA   _N4_    42     1.37132   108.93484  -178.96089
   43    42 S   H    _H4_    43     1.01048   125.61671   179.09734
   44    42 S   C5A  _C7_    44     1.36419   109.19861    -0.37898
   45    39 S   C5BC _C6_    45     1.42498   128.84126   -61.54232
   46    45 S   C    _C9_    46     1.44632   134.07585    -0.26834
   47    46 S   O    _O33    47     1.22549   124.24475    -3.69464
   48    46 S   N    _N6_    48     1.39551   111.78756   176.53417
   49    48 S   H    _H5_    49     1.01667   117.13262  -177.85123
   50    48 S   CDX  _C8_    50     1.40254   125.21309     1.84716
   51    44 S   NI   _N5_    51     1.35392   123.09147   178.79634
   52    50 S   NE   _N7_    52     1.36631   115.45219  -179.96574
   53    52 S   H    _H6_    53     1.01311   120.73128   178.74321
   54    52 S   H    _H7_    54     1.01456   121.40306     5.23963
  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  10   7   4   6   3   7   6   6   3   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    45    46  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    51  
   41    42    43    44    45    46    51  
   42    43    44    45  
   43    44    45    46    50    51  
   44    45    51  
   45    46    47    48    50    51    52  
   46    47    48    49    50    51  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    52    53    54  
   50    51    52  
   51    52    53    54  
   52    53    54  
   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   0.162500   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   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   42   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   43   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.022800   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.143700   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.612700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   51   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   52   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   54   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   285.000  1.502
   39    40   546.000  1.367
   39    45   469.000  1.424
   40    41   367.000  1.080
   40    42   427.000  1.381
   42    43   434.000  1.010
   42    44   427.000  1.381
   44    45   546.000  1.367
   44    51   440.000  1.363
   45    46   320.000  1.468
   46    47   570.000  1.229
   46    48   490.000  1.335
   48    49   434.000  1.010
   48    50   400.000  1.380
   50    51   650.000  1.285
   50    52   445.000  1.380
   52    53   434.000  1.010
   52    54   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    80.00000  109.48900
   33    39    40    60.00000  130.00000
   33    39    45    60.00000  130.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  132.10000
   39    40    42    70.00000  107.70000
   39    45    44    70.00000  107.30000
   39    45    46    50.00000  131.05000
   40    42    43    35.00000  120.00000
   40    42    44    70.00000  109.80000
   42    40    41    35.00000  121.60000
   42    44    45    70.00000  107.70000
   42    44    51    70.00000  120.54000
   44    42    43    35.00000  120.00000
   44    45    46    60.00000  121.69000
   44    51    50    85.00000  107.58000
   45    39    40    70.00000  107.30000
   45    46    47    80.00000  122.10000
   45    46    48    75.00000  116.53000
   46    48    49    35.00000  119.80000
   46    48    50    70.00000  120.51600
   48    46    47    80.00000  122.90000
   48    50    51    80.00000  119.04400
   48    50    52    85.00000  111.44000
   50    48    49    45.00000  120.05200
   50    52    53    35.00000  119.50000
   50    52    54    35.00000  119.50000
   51    44    45    70.00000  120.44500
   52    50    51    75.00000  124.36500
   54    52    53    35.00000  109.00000
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  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    45  -0.16000  1.0 1.0
   29    33    39    45  -0.03200 -1.0 2.0
   29    33    39    45   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    45    44   3.62500 -1.0 2.0
   33    39    45    46   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.00000  1.0 1.0
   39    40    42    43   2.00000 -1.0 2.0
   39    40   -42    44   3.62500 -1.0 2.0
   39    45    46    47   1.05000 -1.0 2.0
   39    45    46    48   0.75700  1.0 1.0
   39    45    46    48   0.34650 -1.0 2.0
   39    45    46    48   0.33000  1.0 3.0
   39    45    46    48  -0.28100 -1.0 4.0
   40    39   -45    44   3.62500 -1.0 2.0
   40    39    45    46   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    51   3.62500 -1.0 2.0
   41    40    42    43   2.00000 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44   -45    39   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    51    50   1.25000 -1.0 2.0
   43    42    44    45   2.00000 -1.0 2.0
   43    42    44    51   2.00000 -1.0 2.0
   44    45    46    47   1.05000 -1.0 2.0
   44    45    46    48   0.75700  1.0 1.0
   44    45    46    48   0.34650 -1.0 2.0
   44    45    46    48   0.33000  1.0 3.0
   44    45    46    48  -0.28100 -1.0 4.0
   45    39    40    41   3.62500 -1.0 2.0
   45    39   -40    42   3.62500 -1.0 2.0
   45    44    51    50   1.25000 -1.0 2.0
   45    46    48    49   2.56700 -1.0 2.0
   45    46   -48    50   2.45000 -1.0 2.0
   46    48    50    51  -0.56400  1.0 1.0
   46    48    50    51   0.77500 -1.0 2.0
   46    48    50    51   0.18700  1.0 3.0
   46    48    50    52  -0.56400  1.0 1.0
   46    48    50    52   0.77500 -1.0 2.0
   46    48    50    52   0.18700  1.0 3.0
   47    46    48    49   2.45000 -1.0 2.0
   47    46    48    50   2.67200 -1.0 2.0
   48    50   -51    44   6.00000 -1.0 2.0
   48    50    52    53   1.00000 -1.0 2.0
   48    50    52    54   1.00000 -1.0 2.0
   49    48    50    51   1.00000 -1.0 2.0
   49    48    50    52   1.00000 -1.0 2.0
   51    44    45    39   3.62500 -1.0 2.0
   51    44   -45    46   3.62500 -1.0 2.0
   51    50    52    53   1.50000 -1.0 2.0
   51    50    52    54   1.50000 -1.0 2.0
   52    50    51    44   6.00000 -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
   40    45    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    40    42    44   1.00000 -1.0 2.0
   45    51    44    42   4.00000 -1.0 2.0
   44    46    45    39   4.00000 -1.0 2.0
   45    48    46    47  10.50000 -1.0 2.0
   49    46    48    50   1.00000 -1.0 2.0
   48    52    50    51  10.50000 -1.0 2.0
   54    50    52    53   1.00000 -1.0 2.0
END
