* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    107    163     318
    1     0 S   NP   _N1_     1    31.87628   100.29246   -20.07002
    2     1 S   H    _HN1     2     1.02706    86.67959   126.33214
    3     1 S   H    _H1_     3     1.03498   160.61388   -95.40568
    4     1 S   H    _H2_     4     1.02817    54.38904  -119.25219
    5     1 S   CT   _CA1     5     1.50108    73.03047    13.15603
    6     5 S   HC   _HA1     6     1.09450   104.91699   133.67272
    7     5 S   CO3  _C1_     7     1.53757   113.57659    13.49053
    8     7 S   O2Z  _O11     8     1.26449   115.15008   -25.06261
    9     7 S   O2Z  _O12     9     1.26288   115.17934   154.56281
   10     5 S   CT   _CB1    10     1.53013   107.39004  -107.55670
   11    10 S   HC   HB11    11     1.09521   109.50612   -36.73860
   12    10 S   HC   HB12    12     1.09830   110.43709    78.86589
   13    10 S   CT   _CG1    13     1.53246   112.96194  -159.25132
   14    13 S   HC   HG11    14     1.09542   110.76537   -94.48262
   15    13 S   HC   HG12    15     1.09551   111.70091    24.90171
   16    13 S   C    _CD1    16     1.51487   109.88543   144.98009
   17    16 S   O    _OE1    17     1.22794   122.07715   101.10421
   18    16 S   N    _N2_    18     1.38450   112.35160   -76.73226
   19    18 S   H    _HN2    19     1.01984   119.04853    -2.27021
   20    18 S   CT1  _CA2    20     1.45680   123.31764   172.94148
   21    20 S   HC   _HA2    21     1.09695   108.59641    28.77937
   22    20 S   C    _C2_    22     1.53207   108.64788   -87.66228
   23    22 S   O    _O2_    23     1.23177   120.90014   149.71770
   24    20 S   CT   _CB2    32     1.53173   112.31980   152.04091
   25    24 S   HC   HB21    33     1.09377   110.95478    62.13365
   26    24 S   HC   HB22    34     1.09597   109.63268   179.21466
   27    22 S   N    _N3_    24     1.38481   114.71812   -37.70812
   28    27 S   H    _HN3    25     1.01750   119.47043     0.33220
   29    24 S   S    _SG2    35     1.82676   111.69846   -62.09856
   30    27 S   CT   _CA3    26     1.45335   122.89667  -177.14618
   31    30 S   HC   HA31    27     1.09569   108.43896   -40.20509
   32    30 S   HC   HA32    28     1.09559   106.93470    76.02691
   33    29 S   CT   _C14    36     1.85476   100.43295   126.62284
   34    33 S   HC   _H4_    37     1.09663   104.73157    39.16807
   35    30 S   CO3  _C3_    29     1.53000   114.98144  -162.60672
   36    35 S   O2Z  _O31    30     1.26322   116.61259     5.06632
   37    35 S   O2Z  _O32    31     1.26518   114.23490  -175.38149
   38    33 S   CM   _C12    38     1.50245   109.51299   -77.71292
   39    33 S   CT   _C7_    49     1.54712   112.53416   154.10603
   40    39 S   HC   _H3_    50     1.09995   108.61722   178.49481
   41    38 S   CM   _C11    39     1.44187   125.30231   -72.48718
   42    41 S   HC   _H12    40     1.08933   114.85477   150.35871
   43    39 S   OS   _O35    51     1.44742   108.26833   -61.99421
   44    38 S   CMA  _C13    59     1.52299   119.72076   109.36400
   45    44 S   OM   _O36    60     1.26278   120.22494    71.46859
   46    44 S   OM   _O37    61     1.26388   121.20011  -108.07879
   47    41 S   CM   _C10    41     1.33872   128.66793   -33.75098
   48    47 S   HC   _H11    42     1.09003   115.86695  -176.88580
   49    43 S   CM   _C5_    52     1.38297   113.10506  -101.56500
   50    47 S   CT   _C9_    43     1.49566   130.04053    -1.55884
   51    50 S   HC   _H9_    44     1.09827   107.06882   158.03225
   52    50 S   HC   _H10    45     1.09725   108.25363   -88.58690
   53    49 S   CM   _C4_    53     1.33749   120.49716   114.08376
   54    53 S   HC   _H5_    54     1.08492   120.52878    -2.98885
   55    53 S   HC   _H6_    55     1.08438   122.00079   177.19558
   56    49 S   CO3  _C6_    56     1.54721   118.33570   -71.35777
   57    56 S   O2Z  _O34    57     1.26514   115.97823   157.85068
   58    56 S   O2Z  _O33    58     1.26570   115.18250   -22.40690
   59    50 S   CT   _C8_    46     1.52257   118.60663    37.16812
   60    59 S   HC   _H7_    47     1.09578   110.06801    64.63712
   61    59 S   HC   _H8_    48     1.09853   107.45680   177.36144
  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
  16   7   2   1   1  12  14   6  10   4  11   3   1   1   7   4
   7   5   4   3   5   2   1   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    50    59    60    61    39    40    43    49    44    45    46  
   38    41    59    39    40    43    44  
   36    37  
   37  
    0  
   41    42    47    48    50    59    39    40    43    44    45    46  
   40    43    49    53    56    44    41    47    50    51    52    59    60    61  
   43    49    50    59    60    61  
   42    47    48    50    51    52    59    44    45    46  
   47    48    50    44  
   49    53    54    55    56    57    58    50    59    60    61  
   45    46    47  
   46  
    0  
   48    50    51    52    59    60    61  
   50    51    52    59  
   53    54    55    56    57    58    59  
   51    52    59    60    61  
   52    59    60    61  
   59    60    61  
   54    55    56    57    58  
   55    56  
   56  
   57    58  
   58  
    0  
   60    61  
   61  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.910300   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
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   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  1.510
   33    39   268.000  1.529
   38    41   380.000  1.444
   38    44   465.000  1.376
   41    42   340.000  1.080
   41    47   549.000  1.340
   47    48   340.000  1.080
   47    50   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    49   440.000  1.360
   49    53   549.000  1.340
   49    56   230.000  1.545
   53    54   340.000  1.080
   53    55   340.000  1.080
   56    57   656.000  1.250
   56    58   656.000  1.250
   44    45   745.000  1.250
   44    46   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    70.00000  124.00000
   33    39    59    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  123.01800
   38    44    45    65.00000  137.10300
   38    44    46    65.00000  137.10300
   41    47    48    35.00000  120.00000
   41    47    50    70.00000  124.00000
   47    41    42    35.00000  120.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    59    70.00000  112.02700
   50    47    48    35.00000  117.00000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    39    58.35000  112.70000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    43    50.00000  109.50000
   61    59    60    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   39    43    49    90.00000  111.18400
   43    39    40    35.00000  109.50000
   43    49    53    80.00000  120.01400
   43    49    56    80.00000  119.00000
   49    53    54    35.00000  120.00000
   49    53    55    35.00000  120.00000
   49    56    57    85.00000  113.83300
   49    56    58    85.00000  113.83300
   55    53    54    35.00000  117.00000
   56    49    53    55.00000  124.75400
   58    56    57    80.00000  126.00000
   44    38    41    70.00000  117.34000
   46    44    45    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    59   0.44750  1.0 1.0
   29    33    39    59  -0.17800 -1.0 2.0
   29    33    39    59   0.20200  1.0 3.0
   29    33    39    40   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    38    41    42   0.00000  1.0 1.0
   33    38    41    47  -0.18600  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   33    39    43    49  -0.46850  1.0 1.0
   33    39    43    49   0.09300 -1.0 2.0
   33    39    43    49  -0.12850  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    59   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    59   0.34400  1.0 1.0
   38    33    39    59   0.09450 -1.0 2.0
   38    33    39    59   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.61850  1.0 1.0
   38    33    39    43  -0.22750 -1.0 2.0
   38    33    39    43   0.15300  1.0 3.0
   38    41    47    48   7.00000 -1.0 2.0
   38    41    47    50   7.00000 -1.0 2.0
   41    38    44    45   7.00000 -1.0 2.0
   41    38    44    46   7.00000 -1.0 2.0
   41    47    50    51   0.00000  1.0 1.0
   41    47    50    52   0.00000  1.0 1.0
   41    47    50    59   0.09850  1.0 1.0
   41    47    50    59   0.15250 -1.0 2.0
   41    47    50    59  -0.50650  1.0 3.0
   42    41    47    48   7.00000 -1.0 2.0
   42    41    47    50   7.00000 -1.0 2.0
   47    50    59    60   0.15000  1.0 3.0
   47    50    59    61   0.15000  1.0 3.0
   47    50    59    39   0.34400  1.0 1.0
   47    50    59    39   0.09450 -1.0 2.0
   47    50    59    39   0.11100  1.0 3.0
   48    47    50    51   0.33100  1.0 3.0
   48    47    50    52   0.33100  1.0 3.0
   48    47    50    59   0.00000  1.0 1.0
   50    59    39    33   0.56750  1.0 1.0
   50    59    39    33  -0.07550 -1.0 2.0
   50    59    39    33   0.20000  1.0 3.0
   50    59    39    40   0.15000  1.0 3.0
   50    59    39    43   0.62750  1.0 1.0
   50    59    39    43  -0.30950 -1.0 2.0
   50    59    39    43   0.27300  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    39   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    61   0.15000  1.0 3.0
   52    50    59    39   0.15000  1.0 3.0
   59    39    43    49  -0.46850  1.0 1.0
   59    39    43    49   0.09300 -1.0 2.0
   59    39    43    49  -0.12850  1.0 3.0
   60    59    39    33   0.15000  1.0 3.0
   60    59    39    40   0.15000  1.0 3.0
   60    59    39    43   0.23400  1.0 3.0
   61    59    39    33   0.15000  1.0 3.0
   61    59    39    40   0.15000  1.0 3.0
   61    59    39    43   0.23400  1.0 3.0
   39    33    38    41   0.98200  1.0 1.0
   39    33    38    41  -0.11900 -1.0 2.0
   39    33    38    41   0.24250  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   39    43    49    53  -2.26850  1.0 1.0
   39    43    49    53   3.39050 -1.0 2.0
   39    43    49    56   0.15100 -1.0 2.0
   40    39    43    49   0.08050  1.0 3.0
   43    49    53    54   7.00000 -1.0 2.0
   43    49    53    55   7.00000 -1.0 2.0
   43    49    56    57  -0.11900  1.0 1.0
   43    49    56    57   0.76850 -1.0 2.0
   43    49    56    57   0.14100  1.0 3.0
   43    49    56    58  -0.11900  1.0 1.0
   43    49    56    58   0.76850 -1.0 2.0
   43    49    56    58   0.14100  1.0 3.0
   53    49    56    57  -0.04000 -1.0 2.0
   53    49    56    57  -0.29050  1.0 3.0
   53    49    56    58  -0.04000 -1.0 2.0
   53    49    56    58  -0.29050  1.0 3.0
   56    49    53    54   7.00000 -1.0 2.0
   56    49    53    55   7.00000 -1.0 2.0
   44    38    41    42  -0.18600  1.0 3.0
   44    38    41    47   0.28850  1.0 1.0
   44    38    41    47   2.61350 -1.0 2.0
   44    38    41    47   0.78400  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    41    38    44   1.10000 -1.0 2.0
   38    42    41    47   1.10000 -1.0 2.0
   50    48    47    41   1.10000 -1.0 2.0
   43    56    49    53  15.00000 -1.0 2.0
   54    55    53    49  15.00000 -1.0 2.0
   57    49    56    58  10.50000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
