* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    103    161     307
    1     0 S   NP   _N1_     1    28.02865    95.88546   -22.99771
    2     1 S   H    _HN1     2     1.02835    29.96997   148.21062
    3     1 S   H    _H1_     3     1.02776   102.66026  -107.85087
    4     1 S   H    _H2_     4     1.02957    81.33468    -0.87469
    5     1 S   CT   _CA1     5     1.50127   136.13962   109.61015
    6     5 S   HC   _HA1     6     1.09574   105.21920    78.63670
    7     5 S   CO3  _C1_     7     1.53786   112.37593   -41.56560
    8     7 S   O2Z  _O11     8     1.26365   114.99777   -43.65467
    9     7 S   O2Z  _O12     9     1.26235   114.93176   135.47035
   10     5 S   CT   _CB1    10     1.53096   107.42428  -163.44178
   11    10 S   HC   HB11    11     1.09827   109.33722   -50.47912
   12    10 S   HC   HB12    12     1.09817   110.42080    66.07668
   13    10 S   CT   _CG1    13     1.53017   112.67440  -171.55162
   14    13 S   HC   HG11    14     1.09594   110.49410   -64.31310
   15    13 S   HC   HG12    15     1.09656   109.92241    54.89289
   16    13 S   C    _CD1    16     1.51836   112.31650   175.26832
   17    16 S   O    _OE1    17     1.22746   123.29785     0.30067
   18    16 S   N    _N2_    18     1.38559   111.70873  -179.75134
   19    18 S   H    _HN2    19     1.01562   118.99564     4.70445
   20    18 S   CT1  _CA2    20     1.45862   122.89049   177.86889
   21    20 S   HC   _HA2    21     1.09718   109.01190    22.64979
   22    20 S   C    _C2_    22     1.52865   106.77779   -94.54541
   23    22 S   O    _O2_    23     1.22991   122.92767   -29.73284
   24    20 S   CT   _CB2    32     1.53285   112.14755   145.89100
   25    24 S   HC   HB21    33     1.09376   109.70976    54.85417
   26    24 S   HC   HB22    34     1.09459   109.70851   173.60723
   27    22 S   N    _N3_    24     1.38461   112.65492   153.06326
   28    27 S   H    _HN3    25     1.01658   120.42530    -1.99626
   29    24 S   S    _SG2    35     1.82683   110.65559   -66.86198
   30    27 S   CT   _CA3    26     1.45361   122.41238   178.61803
   31    30 S   HC   HA31    27     1.09568   107.62270   -59.60305
   32    30 S   HC   HA32    28     1.09566   107.77783    56.70721
   33    29 S   CT   _C11    36     1.87642   102.23182   165.76786
   34    30 S   CO3  _C3_    29     1.52879   114.37703   178.55897
   35    34 S   O2Z  _O31    30     1.26324   116.07436    -2.07169
   36    34 S   O2Z  _O32    31     1.26441   114.40110   177.98142
   37    33 S   CM   _C6_    37     1.52528   104.33100   172.95655
   38    37 S   HC   _H4_    38     1.08761   117.37612    77.03374
   39    33 S   CT   _C12    53     1.54549   108.12323   -69.14562
   40    39 S   HC   _H9_    54     1.09808   111.02137   -45.15795
   41    39 S   HC   _H10    55     1.09553   111.16079    74.53007
   42    37 S   CM   _C4_    39     1.34622   121.96326  -102.93648
   43    39 S   CO4  _C7_    56     1.51324   113.78643  -165.56077
   44    43 S   O    _O4_    57     1.22794   123.08065   126.52903
   45    43 S   HC   _H5_    58     1.10184   116.50097   -56.66977
   46    42 S   NE   _N4_    40     1.38275   121.41914     2.13533
   47    46 S   H    _H3_    41     1.01773   116.20664   174.43243
   48    42 S   CO3  _C5_    50     1.55879   119.75048  -179.10913
   49    48 S   O2Z  _O1_    51     1.26747   114.69975  -172.40327
   50    48 S   O2Z  _O33    52     1.26465   116.55591     7.84080
   51    46 S   CT1  _C10    42     1.45430   123.70237     7.24115
   52    51 S   HC   _H8_    43     1.09675   109.12666    85.42355
   53    33 S   CT   _C9_    44     1.55531   111.73065    53.63902
   54    53 S   HC   _H6_    45     1.09551   111.66616   -54.30106
   55    53 S   HC   _H7_    46     1.09845   108.86653  -169.46154
   56    51 S   CO3  _C8_    47     1.54008   107.62052  -158.83407
   57    56 S   O2Z  _O3_    48     1.26663   114.84056   -57.36120
   58    56 S   O2Z  _O5_    49     1.26358   116.38976   123.84231
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  15   5  10   5   4   9   3   1   1  12   5   3
   1   1   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    53    54    55    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    51    52    53    54    55    56    48    39    40    41    43    44    45  
   35    36  
   36  
    0  
   38    42    46    47    51    53    54    55    48    49    50    39    40    41    43  
   42    46    53    48    39  
   40    41    43    44    45    42    51    53    54    55  
   41    43    44    45    53  
   43    44    45    53  
   46    47    51    52    53    56    48    49    50  
   44    45    53  
   45  
    0  
   47    51    52    53    54    55    56    57    58    48    49    50  
   51    52    53    56    48  
   49    50    51  
   50  
    0  
   52    53    54    55    56    57    58  
   53    54    55    56    57    58  
   54    55    56    57    58  
   55    56  
   56  
   57    58  
   58  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    46   425.000  1.378
   42    48   230.000  1.545
   46    47   434.000  1.010
   46    51   382.000  1.448
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   656.000  1.250
   56    58   656.000  1.250
   48    49   656.000  1.250
   48    50   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    53    51    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   37    42    46    70.00000  124.03900
   37    42    48    55.00000  124.75400
   42    37    38    35.00000  120.00000
   42    46    47    35.00000  114.50000
   42    46    51    50.00000  121.00000
   42    48    49    85.00000  113.83300
   42    48    50    85.00000  113.83300
   46    51    52    35.00000  109.50000
   46    51    53    80.00000  111.61500
   46    51    56    63.00000  110.10000
   51    46    47    35.00000  112.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   53    33    37    70.00000  112.02700
   53    51    52    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    63.00000  111.10000
   58    56    57    80.00000  126.00000
   48    42    46    80.00000  114.48000
   50    48    49    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    43    44    80.00000  120.40000
   39    43    45    35.00000  115.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   45    43    44    35.00000  123.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    53    51   0.44750  1.0 1.0
   29    33    53    51  -0.17800 -1.0 2.0
   29    33    53    51   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    45   0.74550  1.0 1.0
   33    39    43    45  -0.00500 -1.0 2.0
   37    33    53    51   0.34400  1.0 1.0
   37    33    53    51   0.09450 -1.0 2.0
   37    33    53    51   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    51  -0.54700  1.0 1.0
   37    42   -46    51   1.23000 -1.0 2.0
   37    42    48    49  -0.04000 -1.0 2.0
   37    42    48    49  -0.29050  1.0 3.0
   37    42    48    50  -0.04000 -1.0 2.0
   37    42    48    50  -0.29050  1.0 3.0
   38    37    42    46   7.00000 -1.0 2.0
   38    37    42    48   7.00000 -1.0 2.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.25450  1.0 1.0
   42    46    51    53  -0.61700 -1.0 2.0
   42    46    51    53  -0.23550  1.0 3.0
   42    46    51    56  -0.12500  1.0 1.0
   42    46    51    56  -0.12500 -1.0 2.0
   42    46    51    56   0.25000  1.0 3.0
   46    42    48    49   1.91650 -1.0 2.0
   46    42    48    50   1.91650 -1.0 2.0
   46    51   -53    33   1.26750  1.0 1.0
   46    51   -53    33  -0.00950 -1.0 2.0
   46    51   -53    33   0.30600  1.0 3.0
   46    51    53    54   0.22950  1.0 3.0
   46    51    53    55   0.22950  1.0 3.0
   46    51    56    57   0.00000  1.0 1.0
   46    51    56    58   0.00000  1.0 1.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    56   0.00000  1.0 1.0
   52    51    53    33   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    42   0.09850  1.0 1.0
   53    33   -37    42   0.15250 -1.0 2.0
   53    33   -37    42  -0.50650  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    43  -0.95700  1.0 1.0
   53    33    39    43  -0.18200 -1.0 2.0
   53    33    39    43   0.29450  1.0 3.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   56    51    53    33  -0.84850  1.0 1.0
   56    51    53    33  -0.22800 -1.0 2.0
   56    51    53    33   0.29250  1.0 3.0
   56    51    53    54  -0.03800  1.0 3.0
   56    51    53    55  -0.03800  1.0 3.0
   48    42    46    47   1.82350 -1.0 2.0
   48    42    46    51   1.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    53    51   0.56750  1.0 1.0
   39    33    53    51  -0.07550 -1.0 2.0
   39    33    53    51   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    55   0.15000  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    45   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    48    42    37   1.10000 -1.0 2.0
   51    42    46    47   1.00000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
   49    42    48    50  10.50000 -1.0 2.0
   39    45    43    44  10.50000 -1.0 2.0
END
