* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    140     282
    1     0 S   NP   _N1_     1    28.83242    94.36622   -20.94575
    2     1 S   H    _HN1     2     1.02776    88.02216   -77.54094
    3     1 S   H    _H1_     3     1.02962    93.71378    30.71603
    4     1 S   H    _H2_     4     1.02835    29.60036   149.32467
    5     1 S   CT   _CA1     5     1.50115   140.05547   159.13042
    6     5 S   HC   _HA1     6     1.09566   105.26440    53.99137
    7     5 S   CO3  _C1_     7     1.53850   112.44173   -66.31726
    8     7 S   O2Z  _O11     8     1.26363   115.00953   -41.06445
    9     7 S   O2Z  _O12     9     1.26241   114.98992   138.27394
   10     5 S   CT   _CB1    10     1.53118   107.43924   172.06838
   11    10 S   HC   HB11    11     1.09816   109.52627   -49.31731
   12    10 S   HC   HB12    12     1.09826   110.31090    67.30897
   13    10 S   CT   _CG1    13     1.52976   112.62323  -170.41249
   14    13 S   HC   HG11    14     1.09511   110.33714   -60.25321
   15    13 S   HC   HG12    15     1.09633   110.11600    58.87299
   16    13 S   C    _CD1    16     1.51778   112.33669   179.23204
   17    16 S   O    _OE1    17     1.22711   123.24272    -9.89233
   18    16 S   N    _N2_    18     1.38604   111.58836   170.61236
   19    18 S   H    _HN2    19     1.01587   118.97885     1.56997
   20    18 S   CT1  _CA2    20     1.46236   123.48753  -178.01269
   21    20 S   HC   _HA2    21     1.09728   109.43996   -13.44208
   22    20 S   C    _C2_    22     1.53392   108.22199  -129.20423
   23    22 S   O    _O2_    23     1.23006   122.27897  -145.00113
   24    20 S   CT   _CB2    32     1.53413   111.13737   108.72144
   25    24 S   HC   HB21    33     1.09477   109.62914    54.76000
   26    24 S   HC   HB22    34     1.09511   110.73499   173.18203
   27    22 S   N    _N3_    24     1.38520   113.32180    42.30024
   28    27 S   H    _HN3    25     1.01530   118.91989    -0.50241
   29    24 S   S    _SG2    35     1.82796   111.65486   -67.60642
   30    27 S   CT   _CA3    26     1.45452   123.43774   175.13868
   31    30 S   HC   HA31    27     1.09524   109.22774    24.53213
   32    30 S   HC   HA32    28     1.09495   107.12227   141.53707
   33    29 S   CT   _C6_    36     1.83248    99.89099   152.33203
   34    33 S   HC   _H4_    37     1.09745   108.23344    42.81178
   35    30 S   CO3  _C3_    29     1.52928   113.12620   -98.93807
   36    35 S   O2Z  _O31    30     1.26401   115.41120   -44.23518
   37    35 S   O2Z  _O32    31     1.26356   114.97734   136.69917
   38    33 S   CO4  _C7_    38     1.52508   109.79443   157.86096
   39    38 S   O    _O34    39     1.22995   123.92845   -25.59844
   40    38 S   CM   _C8_    40     1.48641   117.64990   159.31512
   41    40 S   HC   _H8_    41     1.08508   116.62598   171.36815
   42    40 S   CM   _C9_    42     1.33739   122.41013    -7.24909
   43    42 S   CO4  _C10    43     1.49130   119.49132    -0.76156
   44    43 S   O    _O35    44     1.22907   121.07185   160.04468
   45    42 S   OS   _O36    52     1.38168   120.56142   175.70085
   46    33 S   CT   _C5_    45     1.53329   111.55147   -78.82167
   47    46 S   HC   _H3_    46     1.09671   110.04660    64.62746
   48    45 S   CT   _C11    53     1.42621   111.58044   118.04719
   49    48 S   HC   _H9_    54     1.09407   107.83785  -170.51378
   50    48 S   HC   _H10    55     1.09406   111.35741    71.31609
   51    48 S   HC   _H11    56     1.09577   111.19360   -52.18590
   52    46 S   OS   _O33    47     1.42653   110.38172   -57.75607
   53    52 S   CT   _C4_    48     1.42219   113.20217   161.61864
   54    53 S   HC   _H5_    49     1.09302   108.16937  -177.79141
   55    53 S   HC   _H6_    50     1.09363   110.86333    63.46304
   56    53 S   HC   _H7_    51     1.09392   110.57633   -59.03529
  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
  12   7   2   1   1   9   4   7   3  10   7   4   5   6   2   3
   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    52    53  
   38    39    40    43    46    47    52  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    52    45  
   40    41    42    46  
   41    42    43    44    46    45    48  
   42    43    45  
   43    44    46    47    52    45    48    49    50    51  
   44    46    47    52    53    45    48  
   46    47    52    45  
   48    49    50    51    46  
   47    52    53    54    55    56  
   52    53  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    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   1.4250   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   3.7500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   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    46   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   320.000  1.462
   42    45   440.000  1.360
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    52   320.000  1.410
   52    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    46    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    46    43    63.00000  111.10000
   33    46    47    37.50000  110.70000
   33    46    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    65.00000  118.96000
   40    42    45    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    44    80.00000  123.72100
   42    43    46    65.00000  118.62400
   42    45    48    90.00000  111.18400
   43    46    47    35.00000  109.50000
   43    46    52    90.00000  108.74100
   46    33    34    37.50000  110.70000
   46    33    38    63.00000  111.10000
   46    43    44    80.00000  120.40000
   46    52    53    60.00000  109.50000
   52    46    47    35.00000  109.50000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    42    43    85.00000  116.28000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    52   0.56750  1.0 1.0
   29    33    46    52  -0.07550 -1.0 2.0
   29    33    46    52   0.20000  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    46    52    53   0.06250  1.0 1.0
   33    46    52    53  -0.01100 -1.0 2.0
   33    46    52    53   0.28050  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    46    43  -0.11250  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    52   0.23400  1.0 3.0
   38    33    46    43   0.11950  1.0 1.0
   38    33    46    43   0.20300 -1.0 2.0
   38    33    46    43  -0.70800  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33    46    52  -0.09450  1.0 1.0
   38    33    46    52  -1.12950 -1.0 2.0
   38    33    46    52   0.54000  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    44   1.00000 -1.0 2.0
   40    42    43    46  -0.33500  1.0 1.0
   40    42    43    46   1.06600 -1.0 2.0
   40    42    43    46  -0.14000  1.0 3.0
   40    42    45    48  -2.26850  1.0 1.0
   40    42    45    48   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -46    33   0.65300  1.0 1.0
   42    43   -46    33  -0.03850 -1.0 2.0
   42    43   -46    33   0.33900  1.0 3.0
   42    43    46    47   0.00000  1.0 1.0
   42    43    46    52   0.65300  1.0 1.0
   42    43    46    52  -0.03850 -1.0 2.0
   42    43    46    52   0.33900  1.0 3.0
   42    45    48    49   0.08050  1.0 3.0
   42    45    48    50   0.08050  1.0 3.0
   42    45    48    51   0.08050  1.0 3.0
   43    42    45    48   0.15100 -1.0 2.0
   43    46    52    53  -1.11000  1.0 1.0
   43    46    52    53   0.50250 -1.0 2.0
   43    46    52    53   0.47450  1.0 3.0
   44    43    46    33   0.30150 -1.0 2.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    52   0.30150 -1.0 2.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   0.65300  1.0 1.0
   46    33   -38    40  -0.03850 -1.0 2.0
   46    33   -38    40   0.33900  1.0 3.0
   46    52    53    54   0.37050  1.0 3.0
   46    52    53    55   0.37050  1.0 3.0
   46    52    53    56   0.37050  1.0 3.0
   47    46    52    53   0.37050  1.0 3.0
   45    42    43    44  -0.11900  1.0 1.0
   45    42    43    44   0.76850 -1.0 2.0
   45    42    43    44   0.14100  1.0 3.0
   45    42    43    46   0.32450 -1.0 2.0
   45    42    43    46   0.17400  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    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    45    42    40   1.10000 -1.0 2.0
   42    46    43    44  10.50000 -1.0 2.0
END
