* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    140     271
    1     0 S   NP   _N1_     1    28.09278    95.11223   -22.65350
    2     1 S   H    _HN1     2     1.02835    27.12001   139.29245
    3     1 S   H    _H1_     3     1.02777    99.42917  -109.66259
    4     1 S   H    _H2_     4     1.02959    86.11835    -1.70353
    5     1 S   CT   _CA1     5     1.50126   136.00418   113.91774
    6     5 S   HC   _HA1     6     1.09574   105.22366    71.20596
    7     5 S   CO3  _C1_     7     1.53786   112.37455   -49.00631
    8     7 S   O2Z  _O11     8     1.26365   114.99605   -43.84745
    9     7 S   O2Z  _O12     9     1.26236   114.93569   135.28120
   10     5 S   CT   _CB1    10     1.53094   107.42209  -170.87252
   11    10 S   HC   HB11    11     1.09827   109.34388   -50.52739
   12    10 S   HC   HB12    12     1.09817   110.42195    66.03217
   13    10 S   CT   _CG1    13     1.53011   112.66155  -171.60006
   14    13 S   HC   HG11    14     1.09595   110.48919   -64.16021
   15    13 S   HC   HG12    15     1.09656   109.92608    55.04253
   16    13 S   C    _CD1    16     1.51832   112.32197   175.41995
   17    16 S   O    _OE1    17     1.22745   123.28688    -0.00000
   18    16 S   N    _N2_    18     1.38550   111.68383   179.96574
   19    18 S   H    _HN2    19     1.01561   119.01092     4.79510
   20    18 S   CT1  _CA2    20     1.45866   122.93107   177.87800
   21    20 S   HC   _HA2    21     1.09717   109.00309    22.74021
   22    20 S   C    _C2_    22     1.52859   106.75900   -94.45482
   23    22 S   O    _O2_    23     1.22996   122.91817   -29.95066
   24    20 S   CT   _CB2    32     1.53261   112.11134   145.95815
   25    24 S   HC   HB21    33     1.09398   109.74494    54.49020
   26    24 S   HC   HB22    34     1.09458   109.75314   173.17878
   27    22 S   N    _N3_    24     1.38464   112.66170   152.71433
   28    27 S   H    _HN3    25     1.01659   120.39716    -1.54813
   29    24 S   S    _SG2    35     1.82996   110.62664   -66.98635
   30    27 S   CT   _CA3    26     1.45352   122.41024   178.59125
   31    30 S   HC   HA31    27     1.09569   107.49803   -61.92426
   32    30 S   HC   HA32    28     1.09566   107.90509    54.37984
   33    29 S   CT   _C9_    36     1.85400   101.82191   170.54736
   34    30 S   CO3  _C3_    29     1.52874   114.39198   176.25414
   35    34 S   O2Z  _O31    30     1.26321   116.08994    -4.82597
   36    34 S   O2Z  _O32    31     1.26448   114.39569   175.31918
   37    33 S   CO4  _C6_    37     1.52902   109.50769    49.79810
   38    37 S   O    _O9_    38     1.23500   120.38125  -104.43790
   39    33 S   CT   _C10    49     1.53618   108.99733   -72.45460
   40    39 S   HC   _H15    50     1.09629   111.66896   -59.05594
   41    39 S   HC   _H16    51     1.09710   110.55662  -178.42965
   42    39 S   HC   _H17    52     1.09462   112.80921    62.86084
   43    37 S   CMA  _C4_    39     1.52427   118.98168    73.50756
   44    43 S   OM   _O8_    40     1.26412   114.83328  -159.77999
   45    43 S   CM   _C5_    41     1.35082   116.34523    19.86761
   46    45 S   CO4  _C7_    42     1.48856   124.09890     2.63827
   47    46 S   O    _O10    43     1.23081   120.58582  -179.17008
   48    45 S   OH   _O33    47     1.38873   120.61255  -178.64969
   49    48 S   HO   _H18    48     0.97502   106.11532     0.62338
   50    33 S   CT   _C8_    44     1.52704   109.47942   169.12102
   51    50 S   HC   _H13    45     1.09806   110.69667   171.70294
   52    50 S   HC   _H14    46     1.09733   110.99003    52.65225
  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  12   5   4   3
  14   2   1   1  13   5   8   3   2   1   7   3   7   6   4   2
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    50    51    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    50    51    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    50    51    52    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    46    50    51    52  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    48    49  
   45    46    48  
   46    47    50    51    52    48    49  
   47    50    51    52    48    49  
   50    51    52    48  
   49    50  
    0  
   51    52  
   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  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   270.000  1.476
   43    44   745.000  1.250
   43    45   465.000  1.376
   45    46   320.000  1.462
   45    48   510.000  1.338
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    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    37    75.00000  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    85.00000  116.28000
   37    43    45    65.00000  114.61000
   43    37    38    80.00000  120.81000
   43    45    46    60.00000  125.92000
   43    45    48    80.00000  121.38400
   45    43    44    65.00000  137.10300
   45    46    47    80.00000  123.72100
   45    46    50    65.00000  118.62400
   45    48    49    70.00000  107.45700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   52    50    51    33.00000  107.80000
   48    45    46    85.00000  116.28000
   39    33    37    63.00000  111.10000
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.32450 -1.0 2.0
   33    37    43    44   0.17400  1.0 3.0
   33    37    43    45  -0.33500  1.0 1.0
   33    37    43    45   1.06600 -1.0 2.0
   33    37    43    45  -0.14000  1.0 3.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    52  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -45    46   7.00000 -1.0 2.0
   37    43    45    48   7.00000 -1.0 2.0
   38    37    43    44  -0.11900  1.0 1.0
   38    37    43    44   0.76850 -1.0 2.0
   38    37    43    44   0.14100  1.0 3.0
   38    37    43    45   1.00000 -1.0 2.0
   43    45    46    47   1.00000 -1.0 2.0
   43    45    46    50  -0.33500  1.0 1.0
   43    45    46    50   1.06600 -1.0 2.0
   43    45    46    50  -0.14000  1.0 3.0
   43    45    48    49  -0.66100  1.0 1.0
   43    45    48    49   1.20850 -1.0 2.0
   43    45    48    49  -0.36000  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    48   7.00000 -1.0 2.0
   45    46   -50    33   0.65300  1.0 1.0
   45    46   -50    33  -0.03850 -1.0 2.0
   45    46   -50    33   0.33900  1.0 3.0
   45    46    50    51   0.00000  1.0 1.0
   45    46    50    52   0.00000  1.0 1.0
   46    45    48    49   2.00000 -1.0 2.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    43   0.65300  1.0 1.0
   50    33   -37    43  -0.03850 -1.0 2.0
   50    33   -37    43   0.33900  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    42   0.15000  1.0 3.0
   48    45    46    47  -0.11900  1.0 1.0
   48    45    46    47   0.76850 -1.0 2.0
   48    45    46    47   0.14100  1.0 3.0
   48    45    46    50   0.32450 -1.0 2.0
   48    45    46    50   0.17400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    50    46  -0.95700  1.0 1.0
   39    33    50    46  -0.18200 -1.0 2.0
   39    33    50    46   0.29450  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    52   0.15000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   37    44    43    45   1.10000 -1.0 2.0
   46    48    45    43   1.10000 -1.0 2.0
   45    50    46    47  10.50000 -1.0 2.0
END
