* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     91    137     266
    1     0 S   NP   _N1_     1    28.84461    95.66281   -23.84842
    2     1 S   H    _HN1     2     1.02948    75.90209     4.36125
    3     1 S   H    _H1_     3     1.02827    32.44300   167.99158
    4     1 S   H    _H2_     4     1.02791   110.27610  -100.33455
    5     1 S   CT   _CA1     5     1.50118   131.75659   109.30020
    6     5 S   HC   _HA1     6     1.09571   105.18075    88.60843
    7     5 S   CO3  _C1_     7     1.53781   112.48633   -31.63504
    8     7 S   O2Z  _O11     8     1.26376   115.00440   -41.99137
    9     7 S   O2Z  _O12     9     1.26237   114.94881   137.11241
   10     5 S   CT   _CB1    10     1.53069   107.41816  -153.38202
   11    10 S   HC   HB11    11     1.09837   109.37534   -49.30005
   12    10 S   HC   HB12    12     1.09812   110.44842    67.30990
   13    10 S   CT   _CG1    13     1.53006   112.61997  -170.24190
   14    13 S   HC   HG11    14     1.09573   110.69896   -66.33472
   15    13 S   HC   HG12    15     1.09670   109.72864    52.91106
   16    13 S   C    _CD1    16     1.51800   112.10177   173.41132
   17    16 S   O    _OE1    17     1.22742   123.22344    10.17170
   18    16 S   N    _N2_    18     1.38642   111.75891  -169.90665
   19    18 S   H    _HN2    19     1.01580   118.97607     1.57296
   20    18 S   CT1  _CA2    20     1.46252   123.43213   177.22582
   21    20 S   HC   _HA2    21     1.09735   109.30952     6.83392
   22    20 S   C    _C2_    22     1.53647   108.76600  -108.70569
   23    22 S   O    _O2_    23     1.23070   122.28722  -148.35627
   24    20 S   CT   _CB2    32     1.53274   111.51568   128.82711
   25    24 S   HC   HB21    33     1.09633   110.03434    57.06257
   26    24 S   HC   HB22    34     1.09586   110.28690   175.56800
   27    22 S   N    _N3_    24     1.38330   113.82754    39.10580
   28    27 S   H    _HN3    25     1.01548   119.61086    -3.06542
   29    24 S   S    _SG2    35     1.82475   111.57219   -64.36500
   30    27 S   CT   _CA3    26     1.45280   123.26265   177.26598
   31    30 S   HC   HA31    27     1.09547   107.50135   -65.17403
   32    30 S   HC   HA32    28     1.09556   108.01135    51.28581
   33    29 S   CM   _C8_    36     1.70431    99.68403   178.51220
   34    30 S   CO3  _C3_    29     1.52972   114.04617   173.30452
   35    34 S   O2Z  _O31    30     1.26381   116.07515    -0.19383
   36    34 S   O2Z  _O32    31     1.26425   114.41484   179.86152
   37    33 S   CMA  _C9_    37     1.34572   131.05612   103.83362
   38    37 S   OM   _O35    38     1.26495   127.41811    -0.41449
   39    37 S   OS   _O34    39     1.42304   111.44769  -179.76179
   40    39 S   CT   _C6_    40     1.43579   109.87450    -2.13387
   41    40 S   HC   _H4_    41     1.09548   108.34623  -113.02741
   42    33 S   CO4  _C7_    42     1.46005   122.32297   -76.66524
   43    42 S   O    _O33    43     1.22143   125.52796     0.98576
   44    40 S   CT   _C5_    44     1.52700   110.86383   123.61842
   45    44 S   HC   _H3_    45     1.09579   110.34674  -174.75723
   46    44 S   CT   _C4_    46     1.52847   111.55651    62.73137
   47    46 S   HC   _H5_    47     1.09487   111.42274   -71.22492
   48    46 S   HC   _H6_    48     1.09444   110.98960    51.08697
   49    44 S   OH   _O36    51     1.43222   109.99167   -57.63689
   50    49 S   HO   _H7_    52     0.97371   107.54684    55.63228
   51    46 S   OH   _O37    49     1.42451   109.17330   169.90576
   52    51 S   HO   _H8_    50     0.97232   107.02654   178.59055
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   8   2   1   1   7   3   8  11   6   5   1   8   6   6   4   3
   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    42  
   40    41    42    43    44    45    46    49  
   41    42    43    44    45    46    47    48    51    49    50  
   42    43    44    45    46    49  
   43    44    45    46    49  
   44  
   45    46    47    48    51    52    49    50  
   46    47    48    51    49    50  
   47    48    51    52    49    50  
   48    51    52    49  
   51    52    49  
   50    51  
    0  
   52  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   3.5500   0.0760  -0.593700   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   39   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   465.000  1.376
   33    42   320.000  1.462
   37    38   745.000  1.250
   37    39   440.000  1.360
   39    40   320.000  1.410
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    44   268.000  1.529
   42    43   570.000  1.229
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   320.000  1.410
   51    52   553.000  0.945
   49    50   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    42    65.00000  124.36000
   33    37    38    65.00000  137.10300
   33    37    39    80.00000  120.01400
   33    42    40    65.00000  118.62400
   33    42    43    80.00000  123.72100
   37    39    40    90.00000  111.18400
   39    37    38    65.00000  121.00000
   39    40    41    35.00000  109.50000
   39    40    42    90.00000  108.74100
   39    40    44    50.00000  109.50000
   40    42    43    80.00000  120.40000
   40    44    45    37.50000  110.70000
   40    44    46    58.35000  112.70000
   40    44    49    50.00000  109.50000
   42    33    37    60.00000  125.92000
   42    40    41    35.00000  109.50000
   44    40    41    37.50000  110.70000
   44    40    42    63.00000  111.10000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    50.00000  109.50000
   44    49    50    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    51    52    55.00000  108.50000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    46    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    42   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    42    40   1.50000 -1.0 2.0
   29    33    42    43  -0.52200  1.0 1.0
   29    33    42    43   0.82950 -1.0 2.0
   33    37   -39    40  -2.26850  1.0 1.0
   33    37   -39    40   3.39050 -1.0 2.0
   37    33   -42    40  -0.33500  1.0 1.0
   37    33   -42    40   1.06600 -1.0 2.0
   37    33   -42    40  -0.14000  1.0 3.0
   37    33    42    43   1.00000 -1.0 2.0
   37    39    40    41   0.08050  1.0 3.0
   37    39   -40    42  -0.48150  1.0 1.0
   37    39   -40    42   0.09250 -1.0 2.0
   37    39   -40    42  -0.12850  1.0 3.0
   37    39    40    44  -0.46850  1.0 1.0
   37    39    40    44   0.09300 -1.0 2.0
   37    39    40    44  -0.12850  1.0 3.0
   38    37    39    40   2.00000 -1.0 2.0
   39    40   -42    33   0.65300  1.0 1.0
   39    40   -42    33  -0.03850 -1.0 2.0
   39    40   -42    33   0.33900  1.0 3.0
   39    40    42    43   0.30150 -1.0 2.0
   39    40    44    45   0.23400  1.0 3.0
   39    40    44    46   0.62750  1.0 1.0
   39    40    44    46  -0.30950 -1.0 2.0
   39    40    44    46   0.27300  1.0 3.0
   39    40    44    49   3.69350  1.0 1.0
   39    40    44    49  -1.82950 -1.0 2.0
   40    44    46    47   0.15000  1.0 3.0
   40    44    46    48   0.15000  1.0 3.0
   40    44    46    51   0.86500  1.0 1.0
   40    44    46    51  -0.17500 -1.0 2.0
   40    44    46    51   0.20800  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   41    40    42    33   0.00000  1.0 1.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   42    33    37    38   7.00000 -1.0 2.0
   42    33   -37    39   7.00000 -1.0 2.0
   42    40    44    45  -0.11250  1.0 3.0
   42    40    44    46  -0.95700  1.0 1.0
   42    40    44    46  -0.18200 -1.0 2.0
   42    40    44    46   0.29450  1.0 3.0
   42    40    44    49  -0.09450  1.0 1.0
   42    40    44    49  -1.12950 -1.0 2.0
   42    40    44    49   0.54000  1.0 3.0
   44    40    42    33   0.65300  1.0 1.0
   44    40    42    33  -0.03850 -1.0 2.0
   44    40    42    33   0.33900  1.0 3.0
   44    40    42    43   0.30150 -1.0 2.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50  -0.11600  1.0 1.0
   46    44    49    50  -0.09450 -1.0 2.0
   46    44    49    50   0.21250  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   48    46    51    52   0.19450  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    51   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   29    42    33    37   1.10000 -1.0 2.0
   38    39    37    33   1.10000 -1.0 2.0
   33    40    42    43  10.50000 -1.0 2.0
END
