* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     91    135     264
    1     0 S   NP   _N1_     1    28.81230    95.99394   -23.69255
    2     1 S   H    _HN1     2     1.02828    35.00986   169.75404
    3     1 S   H    _H1_     3     1.02789   108.04190   -94.62643
    4     1 S   H    _H2_     4     1.02949    74.13014     9.95803
    5     1 S   CT   _CA1     5     1.50113   134.88866   113.17179
    6     5 S   HC   _HA1     6     1.09573   105.19243    90.08056
    7     5 S   CO3  _C1_     7     1.53777   112.44121   -30.16543
    8     7 S   O2Z  _O11     8     1.26373   115.00842   -43.31622
    9     7 S   O2Z  _O12     9     1.26235   114.93760   135.77963
   10     5 S   CT   _CB1    10     1.53070   107.41521  -151.94691
   11    10 S   HC   HB11    11     1.09836   109.36042   -49.69356
   12    10 S   HC   HB12    12     1.09812   110.46013    66.90495
   13    10 S   CT   _CG1    13     1.53004   112.61748  -170.65328
   14    13 S   HC   HG11    14     1.09579   110.67202   -66.02025
   15    13 S   HC   HG12    15     1.09670   109.75690    53.22468
   16    13 S   C    _CD1    16     1.51803   112.12729   173.68969
   17    16 S   O    _OE1    17     1.22743   123.23839     8.72722
   18    16 S   N    _N2_    18     1.38647   111.73853  -171.31696
   19    18 S   H    _HN2    19     1.01581   118.98099     1.52777
   20    18 S   CT1  _CA2    20     1.46231   123.40070   177.34509
   21    20 S   HC   _HA2    21     1.09738   109.29092     5.67395
   22    20 S   C    _C2_    22     1.53628   108.84670  -109.83046
   23    22 S   O    _O2_    23     1.23073   122.25227  -149.09038
   24    20 S   CT   _CB2    32     1.53341   111.53345   127.61063
   25    24 S   HC   HB21    33     1.09484   109.93750    56.96383
   26    24 S   HC   HB22    34     1.09518   110.18009   175.86331
   27    22 S   N    _N3_    24     1.38324   113.82608    38.43531
   28    27 S   H    _HN3    25     1.01558   119.59789    -3.32525
   29    24 S   S    _SG2    35     1.82780   111.43863   -64.53254
   30    27 S   CT   _CA3    26     1.45286   123.25807   177.13816
   31    30 S   HC   HA31    27     1.09548   107.50966   -64.72990
   32    30 S   HC   HA32    28     1.09556   107.99509    51.72190
   33    29 S   CT   _C9_    36     1.85028    99.39163   179.67615
   34    33 S   HC   _H3_    37     1.09896   107.10486    42.62764
   35    30 S   CO3  _C3_    29     1.52970   114.05407   173.71787
   36    35 S   O2Z  _O31    30     1.26381   116.06883    -0.66617
   37    35 S   O2Z  _O32    31     1.26426   114.41613   179.39769
   38    33 S   CO4  _C7_    38     1.52498   105.33520   156.28569
   39    38 S   O    _O10    39     1.23255   120.99247   -85.71261
   40    38 S   CM   _C5_    40     1.49192   118.97011    90.73490
   41    40 S   CM   _C4_    41     1.33757   120.21557     9.64092
   42    41 S   HC   _H12    42     1.08528   121.17966  -178.33129
   43    40 S   CT   _C10    48     1.49726   117.10768  -169.58735
   44    43 S   HC   _H15    49     1.09493   110.47501   -61.73777
   45    43 S   HC   _H16    50     1.09525   111.96990   178.32649
   46    43 S   HC   _H17    51     1.09499   110.46586    58.43170
   47    41 S   CO4  _C6_    43     1.48475   123.01526     3.51703
   48    47 S   O    _O9_    44     1.23312   118.48730  -174.59615
   49    33 S   CT   _C8_    45     1.54361   111.91780   -79.13308
   50    49 S   OM   _O8_    46     1.32447   108.81611   166.01224
   51    49 S   HC   _H13    47     1.09871   107.69175    35.49766
  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
  11   7   2   1   1  12   4   9  10   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    47    48    49    50    51    43  
   38    39    40    47    49    50    51  
   36    37  
   37  
    0  
   39    40    41    42    47    49    50    51    43    44    45    46  
   40    41    49    43  
   41    42    47    48    49    43    44    45    46  
   42    47    48    49    50    51    43    44    45    46  
   47    48    49    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51  
   49    50    51  
   50    51  
   51  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   2.4200   0.0150   0.060000   1.4250   1.2500   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    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  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    43   317.000  1.510
   41    42   340.000  1.080
   41    47   320.000  1.462
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   570.000  1.307
   49    51   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    49    47    63.00000  111.10000
   33    49    50    50.00000  109.50000
   33    49    51    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    43    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    42    35.00000  120.00000
   40    41    47    65.00000  118.96000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   41    47    48    80.00000  123.72100
   41    47    49    65.00000  118.62400
   47    41    42    40.00000  117.72500
   47    49    50    90.00000  108.74100
   47    49    51    35.00000  109.50000
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    47    48    80.00000  120.40000
   51    49    50    45.00000  125.66300
   43    40    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    43   0.25700  1.0 1.0
   33    38    40    43   0.66200 -1.0 2.0
   33    38    40    43   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    47  -0.11250  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    47   0.11950  1.0 1.0
   38    33    49    47   0.20300 -1.0 2.0
   38    33    49    47  -0.70800  1.0 3.0
   38    33    49    50  -0.09450  1.0 1.0
   38    33    49    50  -1.12950 -1.0 2.0
   38    33    49    50   0.54000  1.0 3.0
   38    33    49    51  -0.11250  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    47   7.00000 -1.0 2.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    46   0.15000  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    43  -0.64400  1.0 1.0
   39    38    40    43   0.26850 -1.0 2.0
   40    41    47    48   1.00000 -1.0 2.0
   40    41    47    49  -0.33500  1.0 1.0
   40    41    47    49   1.06600 -1.0 2.0
   40    41    47    49  -0.14000  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    46   0.00000  1.0 1.0
   41    47   -49    33   0.65300  1.0 1.0
   41    47   -49    33  -0.03850 -1.0 2.0
   41    47   -49    33   0.33900  1.0 3.0
   41    47    49    50   0.65300  1.0 1.0
   41    47    49    50  -0.03850 -1.0 2.0
   41    47    49    50   0.33900  1.0 3.0
   41    47    49    51   0.00000  1.0 1.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.04550  1.0 1.0
   42    41    47    49   0.83000 -1.0 2.0
   42    41    47    49  -0.04000  1.0 3.0
   48    47    49    33   0.30150 -1.0 2.0
   48    47    49    50   0.30150 -1.0 2.0
   48    47    49    51   0.00000  1.0 1.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    47   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    40    38    39  10.50000 -1.0 2.0
   38    43    40    41   1.10000 -1.0 2.0
   47    42    41    40   1.10000 -1.0 2.0
   41    49    47    48  10.50000 -1.0 2.0
END
