* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55    100    153     296
    1     0 S   NP   _N1_     1    28.91020    96.09936   -24.74155
    2     1 S   H    _HN1     2     1.02797   118.36465   -97.81085
    3     1 S   H    _H1_     3     1.02946    72.14450     3.87884
    4     1 S   H    _H2_     4     1.02825    34.98027  -178.44985
    5     1 S   CT   _CA1     5     1.50136   125.46145   106.59511
    6     5 S   HC   _HA1     6     1.09575   105.14222    95.61197
    7     5 S   CO3  _C1_     7     1.53753   112.48264   -24.59020
    8     7 S   O2Z  _O11     8     1.26381   114.99536   -42.03757
    9     7 S   O2Z  _O12     9     1.26233   114.93858   136.90946
   10     5 S   CT   _CB1    10     1.53043   107.39125  -146.41048
   11    10 S   HC   HB11    11     1.09849   109.30213   -49.07773
   12    10 S   HC   HB12    12     1.09811   110.48766    67.49957
   13    10 S   CT   _CG1    13     1.53047   112.67684  -169.98820
   14    13 S   HC   HG11    14     1.09558   110.81663   -68.70932
   15    13 S   HC   HG12    15     1.09665   109.63891    50.55545
   16    13 S   C    _CD1    16     1.51817   111.73686   171.10207
   17    16 S   O    _OE1    17     1.22778   123.07134    17.21082
   18    16 S   N    _N2_    18     1.38642   111.99979  -162.84219
   19    18 S   H    _HN2    19     1.01579   119.02179     0.50668
   20    18 S   CT1  _CA2    20     1.46209   123.28636   175.37670
   21    20 S   HC   _HA2    21     1.09740   109.25821     8.23623
   22    20 S   C    _C2_    22     1.53713   108.84889  -107.21748
   23    22 S   O    _O2_    23     1.23085   122.20786  -149.05529
   24    20 S   CT   _CB2    32     1.53295   111.77602   130.23702
   25    24 S   HC   HB21    33     1.09593   110.20645    56.72573
   26    24 S   HC   HB22    34     1.09478   110.02622   175.77678
   27    22 S   N    _N3_    24     1.38301   113.88630    38.42931
   28    27 S   H    _HN3    25     1.01532   119.61661    -3.14958
   29    24 S   S    _SG2    35     1.82702   111.64833   -64.04072
   30    27 S   CT   _CA3    26     1.45279   123.36252   177.27868
   31    30 S   HC   HA31    27     1.09545   107.50381   -65.18130
   32    30 S   HC   HA32    28     1.09553   108.02078    51.29885
   33    29 S   CT   _C8_    36     1.84548    99.31335  -178.21853
   34    33 S   HC   _H4_    37     1.09619   108.34947   -31.86676
   35    30 S   CO3  _C3_    29     1.53001   113.99057   173.29788
   36    35 S   O2Z  _O31    30     1.26395   116.07254    -0.65700
   37    35 S   O2Z  _O32    31     1.26425   114.41671   179.40554
   38    33 S   CM   _C7_    38     1.50817   107.28498    85.56620
   39    38 S   HC   _H9_    39     1.08743   117.64139   -75.30438
   40    38 S   CM   _C6_    40     1.34135   123.56851   106.13459
   41    40 S   HC   _H8_    41     1.08688   118.70508   178.07542
   42    40 S   CT   _C5_    42     1.50038   123.33298    -1.05369
   43    42 S   HC   _H3_    43     1.09638   108.16665   111.64225
   44    42 S   CT   _C4_    44     1.53582   113.89505   -10.21706
   45    44 S   HC   _H6_    45     1.09799   108.82759   160.85719
   46    44 S   HC   _H7_    46     1.09818   110.75960   -83.18232
   47    42 S   NP   _N4_    52     1.49151   112.13563  -132.70288
   48    47 S   H    _H10    53     1.02888   111.37877    61.28841
   49    47 S   H    _H11    54     1.02820   111.45265   -58.84465
   50    47 S   H    _H12    55     1.02859   111.34115  -178.69884
   51    33 S   CT   _C9_    47     1.54691   112.40759  -151.61919
   52    51 S   HC   _H5_    48     1.10202   107.19433   169.87311
   53    51 S   CO3  _C10    49     1.54295   112.50413    56.37683
   54    53 S   O2Z  _O34    50     1.26475   114.75368    50.62477
   55    53 S   O2Z  _O33    51     1.26231   116.04037  -130.66066
  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   9   5   4   3
  14   7   2   1   1  10   4  11   4  11   8  11   5   4   4   2
   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    51    52    53    54    55  
   38    39    40    44    51    52    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    52    53    47  
   40    41    42    51  
   41    42    43    44    45    46    51    47    48    49    50  
   42    43    44    47  
   43    44    45    46    51    52    53    47    48    49    50  
   44    45    46    51    47    48    49    50  
   45    46    51    52    53    54    55    47    48    49    50  
   46    51    52    53    47  
   51    52    53    47  
   48    49    50    51  
   49    50  
   50  
    0  
   52    53    54    55  
   53    54    55  
   54    55  
   55  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   48   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   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    51   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    47   367.000  1.471
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   47    48   434.000  1.010
   47    49   434.000  1.010
   47    50   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    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    51    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    51    44    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    47    75.00000  110.06800
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    46    37.50000  110.70000
   42    44    51    58.35000  112.70000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   44    42    43    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    70.00000  109.69300
   46    44    45    33.00000  107.80000
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    53    54    70.00000  117.00000
   51    53    55    70.00000  117.00000
   53    51    52    35.00000  109.50000
   55    53    54    80.00000  126.00000
   47    42    43    35.00000  109.50000
   47    42    44    80.00000  111.20000
   49    47    48    35.00000  109.50000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  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   0.01700  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    44   0.44750  1.0 1.0
   29    33    51    44  -0.17800 -1.0 2.0
   29    33    51    44   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.56750  1.0 1.0
   29    33    51    53  -0.07550 -1.0 2.0
   29    33    51    53   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    53    54   0.41150 -1.0 2.0
   33    51    53    55   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    44   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53  -0.11250  1.0 3.0
   38    33    51    44   0.34400  1.0 1.0
   38    33    51    44   0.09450 -1.0 2.0
   38    33    51    44   0.11100  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53  -0.98800  1.0 1.0
   38    33    51    53   0.48800 -1.0 2.0
   38    33    51    53   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    47   0.80850  1.0 1.0
   38    40    42    47  -0.47300 -1.0 2.0
   38    40    42    47  -0.52300  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    46   0.15000  1.0 3.0
   40    42    44    51   0.34400  1.0 1.0
   40    42    44    51   0.09450 -1.0 2.0
   40    42    44    51   0.11100  1.0 3.0
   40    42    47    48   0.17350  1.0 3.0
   40    42    47    49   0.17350  1.0 3.0
   40    42    47    50   0.17350  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    47   0.00000  1.0 1.0
   42    44   -51    33   0.56750  1.0 1.0
   42    44   -51    33  -0.07550 -1.0 2.0
   42    44   -51    33   0.20000  1.0 3.0
   42    44    51    52   0.15000  1.0 3.0
   42    44    51    53  -1.63150  1.0 1.0
   42    44    51    53  -0.43550 -1.0 2.0
   42    44    51    53   0.24500  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    46   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42    47    48   0.13050  1.0 3.0
   43    42    47    49   0.13050  1.0 3.0
   43    42    47    50   0.13050  1.0 3.0
   44    42    47    48   0.17350  1.0 3.0
   44    42    47    49   0.17350  1.0 3.0
   44    42    47    50   0.17350  1.0 3.0
   44    51    53    54   0.41150 -1.0 2.0
   44    51    53    55   0.41150 -1.0 2.0
   45    44    51    33   0.15000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53  -0.11250  1.0 3.0
   46    44    51    33   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53  -0.11250  1.0 3.0
   51    33    38    39   0.00000  1.0 1.0
   51    33   -38    40   0.09850  1.0 1.0
   51    33   -38    40   0.15250 -1.0 2.0
   51    33   -38    40  -0.50650  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   47    42    44    45   0.19200  1.0 3.0
   47    42    44    46   0.19200  1.0 3.0
   47    42    44    51   1.36600  1.0 1.0
   47    42    44    51  -0.11450 -1.0 2.0
   47    42    44    51   0.24250  1.0 3.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   54    51    53    55  10.50000 -1.0 2.0
END
