* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    115    170     340
    1     0 S   NP   _N1_     1    30.17442    91.84382   -18.96776
    2     1 S   H    _HN1     2     1.03174   120.52937   100.87924
    3     1 S   H    _H1_     3     1.02711    13.95368    77.26249
    4     1 S   H    _H2_     4     1.03144   106.81154   -20.29161
    5     1 S   CT   _CA1     5     1.50016   100.35543  -137.16752
    6     5 S   HC   _HA1     6     1.09566   105.32252    54.73283
    7     5 S   CO3  _C1_     7     1.53702   112.74710   -65.73477
    8     7 S   O2Z  _O11     8     1.26327   115.29322   -47.92552
    9     7 S   O2Z  _O12     9     1.26295   114.83088   131.45517
   10     5 S   CT   _CB1    10     1.52814   106.99616   172.52037
   11    10 S   HC   HB11    11     1.09713   109.21615   -52.43563
   12    10 S   HC   HB12    12     1.09784   110.02517    63.60242
   13    10 S   CT   _CG1    13     1.52925   113.62266  -173.24230
   14    13 S   HC   HG11    14     1.09543   111.44340   -64.33088
   15    13 S   HC   HG12    15     1.09566   110.82477    55.48699
   16    13 S   C    _CD1    16     1.51410   109.24568   174.92437
   17    16 S   O    _OE1    17     1.22799   121.92520  -100.37936
   18    16 S   N    _N2_    18     1.38413   112.68045    77.51192
   19    18 S   H    _HN2    19     1.01587   119.01406     6.85409
   20    18 S   CT1  _CA2    20     1.45941   123.47027  -172.41361
   21    20 S   HC   _HA2    21     1.09590   109.29956     5.69715
   22    20 S   C    _C2_    22     1.53407   109.38051  -109.97523
   23    22 S   O    _O2_    23     1.23070   122.01949  -144.11993
   24    20 S   CT   _CB2    32     1.53477   111.22928   127.42304
   25    24 S   HC   HB21    33     1.09701   109.24884    66.37152
   26    24 S   HC   HB22    34     1.09466   110.98203  -177.21934
   27    22 S   N    _N3_    24     1.38432   113.74667    43.41011
   28    27 S   H    _HN3    25     1.01478   119.18124    -0.14804
   29    24 S   S    _SG2    35     1.83210   115.41912   -52.53828
   30    27 S   CT   _CA3    26     1.45432   123.08714   175.19760
   31    30 S   HC   HA31    27     1.09545   108.87379    31.67274
   32    30 S   HC   HA32    28     1.09486   107.22935   148.60494
   33    29 S   CT   _C6_    36     1.84907   101.81741   -61.45491
   34    33 S   HC   _H5_    37     1.09390   107.03710    53.27003
   35    30 S   CO3  _C3_    29     1.52942   113.29416   -91.54914
   36    35 S   O2Z  _O31    30     1.26386   115.47853   -44.07411
   37    35 S   O2Z  _O32    31     1.26365   114.94648   136.81026
   38    33 S   CT   _C5_    38     1.53921   110.78574   -67.19862
   39    38 S   HC   _H4_    39     1.09504   111.64437    61.42049
   40    38 S   CT   _C4_    40     1.53638   111.24718  -177.18680
   41    40 S   HC   _H3_    41     1.09620   110.12107   -66.68230
   42    38 S   OH   _O42    63     1.43190   110.12307   -57.16206
   43    42 S   HO   _H11    64     0.97304   107.26165    52.85854
   44    40 S   CT   _C9_    42     1.53568   111.73772    55.91578
   45    44 S   HC   _H8_    43     1.09682   109.32168    67.16798
   46    40 S   OH   _O43    61     1.42977   109.41517   176.99495
   47    46 S   HO   _H12    62     0.97139   107.77993    56.09868
   48    44 S   CT   _C8_    44     1.53724   111.52847   -54.37424
   49    48 S   HC   _H7_    45     1.09489   109.92341   175.53827
   50    44 S   OS   _O33    56     1.42994   108.31665  -174.14579
   51    33 S   CT   _C7_    46     1.54768   109.12622   170.46191
   52    51 S   HC   _H6_    47     1.09782   109.80393    56.34365
   53    48 S   OH   _O37    54     1.43616   110.52725   -69.28195
   54    53 S   HO   _H9_    55     0.96955   109.32049    54.88507
   55    50 S   P3   _P1_    57     1.64902   119.50432  -134.32961
   56    55 S   O2Z  _O35    58     1.52544   103.52220  -177.42071
   57    55 S   O2Z  _O36    59     1.52520   104.67460    62.91952
   58    55 S   O2Z  _O34    60     1.52488   104.72695   -57.66728
   59    51 S   OS   _O38    48     1.42969   109.51606   -64.20175
   60    59 S   P2   _P2_    49     1.62911   119.99541   135.64050
   61    60 S   O2Z  _O41    50     1.50985   110.49592    39.95457
   62    60 S   O2Z  _O39    51     1.51168   109.29676   -96.12924
   63    60 S   OS   _O40    52     1.63344    98.05825   152.01464
   64    63 S   HO   _H10    53     0.98013   115.30710   -78.33980
  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  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  15   7   3   1   9
   6   6   8   3   2   1   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    52    59    60    53    46    42    43  
   38    39    40    48    51    52    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    52    59    50    46    47    42    43  
   40    41    44    51    46    42    43  
   41    44    45    48    49    51    53    50    55    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    51  
    0  
   45    48    49    51    52    59    53    54    50    55    56    57    58    46    47  
   48    49    51    53    50    55    46  
   47    48    50  
    0  
   49    51    52    59    60    53    54    50    55  
   51    52    59    53    54    50  
   55    56    57    58    51    53  
   52    59    60    61    62    63    53    54  
   59    60    53  
   54    59  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    59   320.000  1.410
   59    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    63   230.000  1.697
   63    64   553.000  0.945
   53    54   553.000  0.945
   50    55   230.000  1.630
   55    56   525.000  1.516
   55    57   525.000  1.516
   55    58   525.000  1.516
   46    47   553.000  0.945
   42    43   553.000  0.945
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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    51    58.35000  112.70000
   44    48    53    50.00000  109.50000
   44    50    55    80.00000  112.68000
   48    44    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    59    50.00000  109.50000
   48    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    59    60   100.00000  120.50000
   59    51    52    35.00000  109.50000
   59    60    61   100.00000  108.23000
   59    60    62   100.00000  108.23000
   59    60    63    45.00000  102.60000
   60    63    64    45.00000  108.50000
   62    60    61   140.00000  119.90000
   63    60    61   100.00000  108.23000
   63    60    62   100.00000  108.23000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   50    55    56   100.00000  107.00000
   50    55    57   100.00000  107.00000
   50    55    58   100.00000  107.00000
   57    55    56   140.00000  114.00000
   58    55    56   140.00000  114.00000
   58    55    57   140.00000  114.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    59   0.56750  1.0 1.0
   29    33    51    59  -0.07550 -1.0 2.0
   29    33    51    59   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    59    60  -2.65550  1.0 1.0
   33    51    59    60  -0.22350 -1.0 2.0
   33    51    59    60   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    59   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    59   0.62750  1.0 1.0
   38    33    51    59  -0.30950 -1.0 2.0
   38    33    51    59   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.62750  1.0 1.0
   38    40    44    50  -0.30950 -1.0 2.0
   38    40    44    50   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    51   0.56750  1.0 1.0
   40    44    48    51  -0.07550 -1.0 2.0
   40    44    48    51   0.20000  1.0 3.0
   40    44    48    53   0.86500  1.0 1.0
   40    44    48    53  -0.17500 -1.0 2.0
   40    44    48    53   0.20800  1.0 3.0
   40    44    50    55  -2.65550  1.0 1.0
   40    44    50    55  -0.22350 -1.0 2.0
   40    44    50    55   0.24150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -51    33   0.56750  1.0 1.0
   44    48   -51    33  -0.07550 -1.0 2.0
   44    48   -51    33   0.20000  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    59   0.62750  1.0 1.0
   44    48    51    59  -0.30950 -1.0 2.0
   44    48    51    59   0.27300  1.0 3.0
   44    48    53    54  -0.11600  1.0 1.0
   44    48    53    54  -0.09450 -1.0 2.0
   44    48    53    54   0.21250  1.0 3.0
   44    50    55    56   0.00000  1.0 1.0
   44    50    55    57   0.00000  1.0 1.0
   44    50    55    58   0.00000  1.0 1.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    50    55   0.03000  1.0 3.0
   48    44    50    55  -2.65550  1.0 1.0
   48    44    50    55  -0.22350 -1.0 2.0
   48    44    50    55   0.24150  1.0 3.0
   48    51    59    60  -2.65550  1.0 1.0
   48    51    59    60  -0.22350 -1.0 2.0
   48    51    59    60   0.24150  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    59   0.23400  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    48    53    54  -0.11600  1.0 1.0
   51    48    53    54  -0.09450 -1.0 2.0
   51    48    53    54   0.21250  1.0 3.0
   51    59    60    61   0.00000  1.0 1.0
   51    59    60    62   0.00000  1.0 1.0
   51    59    60    63   0.05050  1.0 1.0
   51    59    60    63  -1.30700 -1.0 2.0
   51    59    60    63   0.91550  1.0 3.0
   52    51    59    60   0.03000  1.0 3.0
   59    60    63    64   0.00000  1.0 1.0
   61    60    63    64   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   53    48    51    33   0.86500  1.0 1.0
   53    48    51    33  -0.17500 -1.0 2.0
   53    48    51    33   0.20800  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    59   3.69350  1.0 1.0
   53    48    51    59  -1.82950 -1.0 2.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    51   0.62750  1.0 1.0
   50    44    48    51  -0.30950 -1.0 2.0
   50    44    48    51   0.27300  1.0 3.0
   50    44    48    53   3.69350  1.0 1.0
   50    44    48    53  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
END
