* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    110    165     324
    1     0 S   NP   _N1_     1    28.76682    95.12149   -20.78185
    2     1 S   H    _HN1     2     1.02827    33.92979   161.55737
    3     1 S   H    _H1_     3     1.02765    88.96828   -72.98928
    4     1 S   H    _H2_     4     1.02957    87.46837    35.49478
    5     1 S   CT   _CA1     5     1.50210   144.58064   157.93227
    6     5 S   HC   _HA1     6     1.09582   105.08829    61.18978
    7     5 S   CO3  _C1_     7     1.53824   112.49578   -58.60550
    8     7 S   O2Z  _O11     8     1.26368   114.98150   -36.82913
    9     7 S   O2Z  _O12     9     1.26260   114.93944   141.90112
   10     5 S   CT   _CB1    10     1.53092   107.34186   178.95939
   11    10 S   HC   HB11    11     1.09817   109.14579   -49.91605
   12    10 S   HC   HB12    12     1.09815   110.42322    66.58574
   13    10 S   CT   _CG1    13     1.52989   112.82238  -171.09530
   14    13 S   HC   HG11    14     1.09582   110.30274   -66.66992
   15    13 S   HC   HG12    15     1.09656   110.06241    52.47467
   16    13 S   C    _CD1    16     1.51880   112.43334   172.52068
   17    16 S   O    _OE1    17     1.22728   123.31193    -6.15473
   18    16 S   N    _N2_    18     1.38594   111.61032   174.52818
   19    18 S   H    _HN2    19     1.01613   118.83085    -1.18498
   20    18 S   CT1  _CA2    20     1.46190   123.64165  -179.52399
   21    20 S   HC   _HA2    21     1.09740   109.23450   -16.76790
   22    20 S   C    _C2_    22     1.53448   108.25255  -132.32843
   23    22 S   O    _O2_    23     1.23012   122.26006  -146.54359
   24    20 S   CT   _CB2    32     1.53484   111.50254   105.45478
   25    24 S   HC   HB21    33     1.09501   110.07418    54.92042
   26    24 S   HC   HB22    34     1.09524   110.53450   172.96020
   27    22 S   N    _N3_    24     1.38519   113.33258    40.91774
   28    27 S   H    _HN3    25     1.01538   118.85982    -0.85615
   29    24 S   S    _SG2    35     1.82874   111.75005   -68.52285
   30    27 S   CT   _CA3    26     1.45453   123.53375   175.02456
   31    30 S   HC   HA31    27     1.09518   109.30157    22.81619
   32    30 S   HC   HA32    28     1.09497   107.09771   139.83778
   33    29 S   CT   _C7_    36     1.85639   100.43524   137.99644
   34    33 S   HC   _H4_    37     1.09683   106.98946    35.59476
   35    30 S   CO3  _C3_    29     1.52929   113.10781  -100.70592
   36    35 S   O2Z  _O31    30     1.26405   115.41913   -43.85029
   37    35 S   O2Z  _O32    31     1.26358   114.97520   137.08353
   38    33 S   CT   _C8_    38     1.54286   110.47740   -81.00815
   39    38 S   F    F1__    39     1.35919   111.14771    46.48994
   40    38 S   HC   _H5_    40     1.09630   109.71255   163.37036
   41    38 S   C    _C9_    41     1.50961   110.89835   -78.53185
   42    41 S   O    _O35    42     1.22624   123.44616   136.34934
   43    41 S   N    _N6_    43     1.38029   112.49554   -45.03707
   44    43 S   H    _H12    44     1.01458   118.56605  -178.56509
   45    43 S   CT   _C10    45     1.44591   121.65714    -0.26688
   46    45 S   HC   _H6_    46     1.09409   105.67861   168.14933
   47    33 S   NT   _N5_    47     1.47958   107.09416   154.21439
   48    45 S   OH   _O36    60     1.41888   108.75802   -76.19457
   49    48 S   HO   _H13    61     0.97196   106.30509   -42.69975
   50    47 S   CT   _C4_    48     1.47356   112.12796   -99.78195
   51    50 S   HC   _H7_    49     1.09753   109.95312   -74.93306
   52    50 S   HC   _H8_    50     1.09932   109.22555    40.88746
   53    50 S   CT   _C5_    51     1.53731   113.88703   160.47394
   54    53 S   HC   _H3_    52     1.09567   110.71410    62.10816
   55    53 S   CO3  _C6_    53     1.54206   113.45468  -178.34259
   56    55 S   O2Z  _O34    54     1.26559   114.10946   159.00428
   57    55 S   O2Z  _O33    55     1.26082   116.38986   -21.46531
   58    53 S   NP   _N4_    56     1.50406   107.99698   -52.79527
   59    58 S   H    _H9_    57     1.02800   111.63770    57.26337
   60    58 S   H    _H10    58     1.02843   111.09140   -63.13187
   61    58 S   H    _H11    59     1.02903   110.29378   178.11446
  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
  15   7   2   1   1   9   5   4   7   3   7   4   8   4   9   2
   1  11   5   4   8   7   6   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    50    51    52    53    48  
   38    39    40    41    45    47    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    50  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45    46    47    50    48    49  
   45    46    47    48  
   46    47    50    51    52    53    48    49  
   47    50    48    49  
   50    51    52    53    54    55    58    48    49  
   49    50  
    0  
   51    52    53    54    55    56    57    58    59    60    61  
   52    53    54    55    58  
   53    54    55    58  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59    60    61  
   56    57    58    59    60    61  
   57    58  
   58  
   59    60    61  
   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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   40   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.5000   0.0660   0.615000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   56   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.210000   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    47   382.000  1.448
   38    39   367.000  1.332
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   490.000  1.335
   43    44   434.000  1.010
   43    45   337.000  1.449
   45    46   340.000  1.090
   45    47   382.000  1.448
   45    48   320.000  1.410
   47    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    58   367.000  1.471
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   434.000  1.010
   58    60   434.000  1.010
   58    61   434.000  1.010
   48    49   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    47    85.00000  109.00000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    51.80000  107.20000
   33    47    50    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.60000
   40    38    39    40.00000  107.00000
   41    38    39    90.00000  108.61100
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  119.80000
   41    43    45    50.00000  121.90000
   43    41    42    80.00000  122.90000
   43    45    46    35.00000  109.50000
   43    45    47    80.00000  116.76000
   43    45    48    95.00000  111.01700
   45    43    44    38.00000  118.40000
   45    47    50    51.80000  107.20000
   45    48    49    55.00000  108.50000
   47    33    34    35.00000  109.50000
   47    33    38    56.20000  109.47000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    56.20000  109.47000
   50    53    54    37.50000  110.70000
   50    53    55    70.00000  109.69300
   50    53    58    80.00000  111.20000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    70.00000  117.00000
   53    55    57    70.00000  117.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   55    53    54    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    53    54    35.00000  109.50000
   58    53    55    80.00000  109.26000
   60    58    59    35.00000  109.50000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47   110.00000  105.70000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.23200  1.0 1.0
   29    33    47    45   0.02100 -1.0 2.0
   29    33    47    45   0.24950  1.0 3.0
   29    33    47    50   0.23200  1.0 1.0
   29    33    47    50   0.02100 -1.0 2.0
   29    33    47    50   0.24950  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   1.39750  1.0 1.0
   33    38    41    43  -0.07950 -1.0 2.0
   33    38    41    43  -0.18750  1.0 3.0
   33    47    50    51   0.28000  1.0 3.0
   33    47    50    52   0.28000  1.0 3.0
   33    47    50    53   0.23450  1.0 1.0
   33    47    50    53   0.02050 -1.0 2.0
   33    47    50    53   0.25250  1.0 3.0
   34    33    38    39   0.22100  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.28000  1.0 3.0
   34    33    47    50   0.28000  1.0 3.0
   38    33    47    45   0.23450  1.0 1.0
   38    33    47    45   0.02050 -1.0 2.0
   38    33    47    45   0.25250  1.0 3.0
   38    33    47    50   0.58650  1.0 1.0
   38    33    47    50   0.12600 -1.0 2.0
   38    33    47    50   0.33350  1.0 3.0
   38    41    43    44   2.45000 -1.0 2.0
   38    41   -43    45   1.49850  1.0 1.0
   38    41   -43    45   1.53950 -1.0 2.0
   39    38    41    42   0.30150 -1.0 2.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    47  -0.42300  1.0 1.0
   41    43    45    47  -0.07000 -1.0 2.0
   41    43    45    47   0.04150  1.0 3.0
   41    43    45    48  -5.15550  1.0 1.0
   41    43    45    48  -0.87850 -1.0 2.0
   42    41    43    44   2.45000 -1.0 2.0
   42    41    43    45   3.04450 -1.0 2.0
   43    45   -47    33   0.23200  1.0 1.0
   43    45   -47    33   0.02100 -1.0 2.0
   43    45   -47    33   0.24950  1.0 3.0
   43    45    47    50   0.23200  1.0 1.0
   43    45    47    50   0.02100 -1.0 2.0
   43    45    47    50   0.24950  1.0 3.0
   43    45    48    49   0.09550  1.0 1.0
   43    45    48    49   0.17350 -1.0 2.0
   43    45    48    49  -0.55000  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   45    47    50    51   0.28000  1.0 3.0
   45    47    50    52   0.28000  1.0 3.0
   45    47    50    53   0.23450  1.0 1.0
   45    47    50    53   0.02050 -1.0 2.0
   45    47    50    53   0.25250  1.0 3.0
   46    45    47    33   0.28000  1.0 3.0
   46    45    47    50   0.28000  1.0 3.0
   46    45    48    49   0.19450  1.0 3.0
   47    33    38    39   0.56750  1.0 1.0
   47    33    38    39  -0.07550 -1.0 2.0
   47    33    38    39   0.20000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -3.56550  1.0 1.0
   47    33   -38    41  -0.67500 -1.0 2.0
   47    33   -38    41   1.11300  1.0 3.0
   47    45    48    49   0.35600  1.0 1.0
   47    45    48    49  -0.10750 -1.0 2.0
   47    45    48    49  -0.54400  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55  -3.56550  1.0 1.0
   47    50    53    55  -0.67500 -1.0 2.0
   47    50    53    55   1.11300  1.0 3.0
   47    50    53    58   0.99100  1.0 1.0
   47    50    53    58  -1.80900 -1.0 2.0
   50    53    55    56   0.41150 -1.0 2.0
   50    53    55    57   0.41150 -1.0 2.0
   50    53    58    59   0.17350  1.0 3.0
   50    53    58    60   0.17350  1.0 3.0
   50    53    58    61   0.17350  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55  -0.11250  1.0 3.0
   51    50    53    58   0.19200  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55  -0.11250  1.0 3.0
   52    50    53    58   0.19200  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    58    59   0.13050  1.0 3.0
   54    53    58    60   0.13050  1.0 3.0
   54    53    58    61   0.13050  1.0 3.0
   55    53    58    59   0.17350  1.0 3.0
   55    53    58    60   0.17350  1.0 3.0
   55    53    58    61   0.17350  1.0 3.0
   58    53    55    56   0.30150 -1.0 2.0
   58    53    55    57   0.30150 -1.0 2.0
   48    45    47    33   0.23200  1.0 1.0
   48    45    47    33   0.02100 -1.0 2.0
   48    45    47    33   0.24950  1.0 3.0
   48    45    47    50   0.23200  1.0 1.0
   48    45    47    50   0.02100 -1.0 2.0
   48    45    47    50   0.24950  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
   38    43    41    42  10.50000 -1.0 2.0
   44    41    43    45   1.00000 -1.0 2.0
   56    53    55    57  10.50000 -1.0 2.0
END
