* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     90    135     263
    1     0 S   NP   _N1_     1    30.69415    94.10299   -16.51520
    2     1 S   H    _HN1     2     1.03074   115.83413   145.65719
    3     1 S   H    _H1_     3     1.02628    25.80040    68.56253
    4     1 S   H    _H2_     4     1.03526   124.36766    12.26664
    5     1 S   CT   _CA1     5     1.49944    86.73164  -102.78157
    6     5 S   HC   _HA1     6     1.09574   105.33741    61.47199
    7     5 S   CO3  _C1_     7     1.53683   112.85679   -58.94590
    8     7 S   O2Z  _O11     8     1.26346   115.33831   -46.39374
    9     7 S   O2Z  _O12     9     1.26325   114.88362   133.05276
   10     5 S   CT   _CB1    10     1.52835   106.96875   178.93101
   11    10 S   HC   HB11    11     1.09768   108.83753   -56.02237
   12    10 S   HC   HB12    12     1.09783   109.85616    59.86147
   13    10 S   CT   _CG1    13     1.53081   113.94359  -177.27243
   14    13 S   HC   HG11    14     1.09551   111.18387   -74.61751
   15    13 S   HC   HG12    15     1.09597   110.51310    45.14735
   16    13 S   C    _CD1    16     1.51622   110.30836   164.46899
   17    16 S   O    _OE1    17     1.22836   121.72440  -115.79966
   18    16 S   N    _N2_    18     1.38389   112.90237    63.48979
   19    18 S   H    _HN2    19     1.01553   119.14560     5.78784
   20    18 S   CT1  _CA2    20     1.46168   123.52108  -170.86828
   21    20 S   HC   _HA2    21     1.09723   109.40263    -9.21384
   22    20 S   C    _C2_    22     1.53358   108.72529  -125.22254
   23    22 S   O    _O2_    23     1.23015   122.29700  -147.58336
   24    20 S   CT   _CB2    32     1.53678   110.78780   112.36590
   25    24 S   HC   HB21    33     1.09565   109.50043    57.03088
   26    24 S   HC   HB22    34     1.09436   110.32409   175.96163
   27    22 S   N    _N3_    24     1.38544   113.42920    40.02581
   28    27 S   H    _HN3    25     1.01527   118.82391    -0.74913
   29    24 S   S    _SG2    35     1.82996   111.41949   -64.12737
   30    27 S   CT   _CA3    26     1.45427   123.38138   175.26484
   31    30 S   HC   HA31    27     1.09533   109.07516    26.92401
   32    30 S   HC   HA32    28     1.09493   107.13683   143.87793
   33    29 S   CT   _C10    36     1.84575   100.28222   157.39373
   34    33 S   HC   _H3_    37     1.09441   109.65740   -33.95549
   35    30 S   CO3  _C3_    29     1.52934   113.34145   -96.46672
   36    35 S   O2Z  _O31    30     1.26388   115.52037   -42.26512
   37    35 S   O2Z  _O32    31     1.26378   114.92067   138.77224
   38    33 S   CM   _C5_    38     1.50657   108.71450    86.29717
   39    38 S   CM   _C4_    39     1.34107   120.69894   100.53286
   40    39 S   HC   _H15    40     1.08548   121.38460  -178.52144
   41    38 S   CO3  _C7_    50     1.53628   120.42142   -80.77619
   42    41 S   O2Z  _O8_    51     1.26477   115.19769   -38.16802
   43    41 S   O2Z  _O33    52     1.26514   115.88211   141.48054
   44    39 S   CO   _C9_    41     1.49588   119.94415     0.46309
   45    44 S   HC   _H16    42     1.09712   109.93559   -88.89363
   46    44 S   OS   _O34    43     1.42779   112.23436    33.83709
   47    44 S   OH   _O13    48     1.42655   107.68084   154.04191
   48    47 S   HO   _H18    49     0.97165   106.25847   158.38181
   49    33 S   CM   _C6_    44     1.51447   107.24424  -151.38171
   50    49 S   CMA  _C8_    45     1.52332   122.33271    77.47353
   51    50 S   OM   _O9_    46     1.26424   120.38578  -140.32528
   52    50 S   OM   _O10    47     1.26307   121.46567    39.72675
  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   8   5   4   3
  13   6   2   1   1  11  10   5   4   1   1   6   4   6   2   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    49    50    51    52    41    42    43  
   38    39    46    49    50    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    47    41    42    43  
   40    44    45    46    49    47    48    41    42    43  
   44    45    46    47    41  
   42    43    44    49  
   43  
    0  
   45    46    49    50    47    48  
   46    49    47    48  
   49    50    51    52    47    48  
   48    49  
    0  
   50    51    52  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   52   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    49   317.000  1.510
   38    39   549.000  1.340
   38    41   230.000  1.545
   39    40   340.000  1.080
   39    44   317.000  1.510
   44    45   340.000  1.090
   44    46   320.000  1.380
   44    47   380.000  1.407
   46    49   440.000  1.360
   49    50   465.000  1.376
   50    51   745.000  1.250
   50    52   745.000  1.250
   47    48   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.04000
   33    49    46    85.00000  112.85300
   33    49    50    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  124.00000
   38    41    42    85.00000  113.83300
   38    41    43    85.00000  113.83300
   39    44    45    35.00000  109.50000
   39    44    46    85.00000  110.90400
   39    44    47    90.00000  110.39200
   44    39    40    35.00000  117.00000
   44    46    49    85.00000  113.97000
   44    47    48    70.00000  107.92000
   46    44    45    35.00000  109.50000
   46    49    50    80.00000  120.01400
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   49    50    51    65.00000  137.10300
   49    50    52    65.00000  137.10300
   52    50    51    65.00000  121.00000
   47    44    45    60.00000  108.02500
   47    44    46   110.00000  112.08000
   41    38    39    55.00000  124.75400
   43    41    42    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    46   0.09700  1.0 1.0
   29    33    49    46   0.15600 -1.0 2.0
   29    33    49    46  -0.50800  1.0 3.0
   29    33    49    50   0.42700  1.0 1.0
   29    33    49    50  -0.70350 -1.0 2.0
   29    33    49    50  -0.43150  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    43  -0.64400  1.0 1.0
   33    38    41    43   0.26850 -1.0 2.0
   33    49    50    51   7.00000 -1.0 2.0
   33    49    50    52   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    46   0.09700  1.0 1.0
   38    33    49    46   0.15600 -1.0 2.0
   38    33    49    46  -0.50800  1.0 3.0
   38    33    49    50  -0.28300  1.0 1.0
   38    33    49    50   0.26700 -1.0 2.0
   38    33    49    50  -0.63300  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39   -44    46   0.39000  1.0 1.0
   38    39   -44    46  -0.05800 -1.0 2.0
   38    39   -44    46  -0.55150  1.0 3.0
   38    39    44    47   0.67800  1.0 1.0
   38    39    44    47   0.47050 -1.0 2.0
   38    39    44    47  -0.62500  1.0 3.0
   39    38    41    42  -0.04000 -1.0 2.0
   39    38    41    42  -0.29050  1.0 3.0
   39    38    41    43  -0.04000 -1.0 2.0
   39    38    41    43  -0.29050  1.0 3.0
   39    44    46    49  -0.48150  1.0 1.0
   39    44    46    49   0.09250 -1.0 2.0
   39    44    46    49  -0.12850  1.0 3.0
   39    44    47    48  -0.07800  1.0 1.0
   39    44    47    48  -0.21500 -1.0 2.0
   39    44    47    48  -0.03150  1.0 3.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    46   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   44    46   -49    33   2.00000 -1.0 2.0
   44    46    49    50  -2.26850  1.0 1.0
   44    46    49    50   3.39050 -1.0 2.0
   45    44    46    49   0.08050  1.0 3.0
   45    44    47    48   0.19450  1.0 3.0
   46    44    47    48  -0.50000  1.0 1.0
   46    44    47    48  -0.73950 -1.0 2.0
   46    44    47    48   0.17150  1.0 3.0
   46    49    50    51   7.00000 -1.0 2.0
   46    49    50    52   7.00000 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   47    44    46    49  -0.48150  1.0 1.0
   47    44    46    49   0.09250 -1.0 2.0
   47    44    46    49  -0.12850  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   33    46    49    50   1.10000 -1.0 2.0
   51    52    50    49   1.10000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
