* LIGAND DATABASE FILE (OPLS2005)
*
001      59    58    103    138     292
    1     0 S   NP   _N1_     1    28.06065    94.93762   -25.26507
    2     1 S   H    _HN1     2     1.02957    89.61887   -10.61978
    3     1 S   H    _H1_     3     1.02836    17.54314   163.25123
    4     1 S   H    _H2_     4     1.02777   113.01797  -120.43672
    5     1 S   CT   _CA1     5     1.50155   120.43030   102.96487
    6     5 S   HC   _HA1     6     1.09574   105.19283    75.48156
    7     5 S   CO3  _C1_     7     1.53768   112.29542   -44.68771
    8     7 S   O2Z  _O11     8     1.26373   114.98517   -44.42642
    9     7 S   O2Z  _O12     9     1.26223   114.92571   134.50418
   10     5 S   CT   _CB1    10     1.53078   107.40393  -166.61848
   11    10 S   HC   HB11    11     1.09833   109.30793   -50.02829
   12    10 S   HC   HB12    12     1.09815   110.43988    66.50679
   13    10 S   CT   _CG1    13     1.53054   112.72622  -171.05561
   14    13 S   HC   HG11    14     1.09586   110.57032   -65.35810
   15    13 S   HC   HG12    15     1.09658   109.86611    53.88432
   16    13 S   C    _CD1    16     1.51858   112.15122   174.25673
   17    16 S   O    _OE1    17     1.22780   123.22781     4.31502
   18    16 S   N    _N2_    18     1.38567   111.88662  -175.76404
   19    18 S   H    _HN2    19     1.01579   119.16035     3.44373
   20    18 S   CT1  _CA2    20     1.45799   122.68113   177.56281
   21    20 S   HC   _HA2    21     1.09744   108.78846    26.74217
   22    20 S   C    _C2_    22     1.53002   107.20841   -90.16495
   23    22 S   O    _O2_    23     1.22963   123.15125   -24.96388
   24    20 S   CT   _CB2    32     1.53172   112.45563   149.83674
   25    24 S   HC   HB21    33     1.09607   110.36080    54.89641
   26    24 S   HC   HB22    34     1.09443   109.99912   173.69205
   27    22 S   N    _N3_    24     1.38517   112.47447   157.69240
   28    27 S   H    _HN3    25     1.01650   120.31849    -2.44376
   29    24 S   S    _SG2    35     1.82456   111.36212   -65.70018
   30    27 S   CT   _CA3    26     1.45356   122.57650   178.50289
   31    30 S   HC   HA31    27     1.09565   107.98225   -52.54181
   32    30 S   HC   HA32    28     1.09559   107.48392    63.84417
   33    29 S   CT   _C9_    36     1.83771    99.12939  -176.35116
   34    33 S   HC   _H3_    37     1.09352   107.53317   -38.77411
   35    30 S   CO3  _C3_    29     1.52906   114.23326  -174.48676
   36    35 S   O2Z  _O31    30     1.26348   116.02499     1.85055
   37    35 S   O2Z  _O32    31     1.26426   114.42889  -178.24844
   38    33 S   CT   _C8_    38     1.53557   110.60647    82.61891
   39    38 S   HC   _H23    39     1.09502   111.98783   -54.19972
   40    33 S   OS   _O34    55     1.42784   109.86404  -157.69021
   41    38 S   CO4  _C4_    40     1.53013   112.08801  -174.24377
   42    41 S   O    _O9_    41     1.23214   121.52447  -110.64492
   43    38 S   OH   _O33    53     1.42547   110.59575    65.34065
   44    43 S   HO   _H25    54     0.97441   106.75401    53.33927
   45    40 S   P3   _P14    56     1.64976   118.62057   113.02289
   46    45 S   O2Z  _O7_    57     1.52482   104.52785   -58.72215
   47    45 S   O2Z  _O8_    58     1.52421   103.57294  -178.70291
   48    45 S   O2Z  _O10    59     1.52499   104.39181    61.53344
   49    41 S   CT   _C6_    42     1.52268   116.56329    72.45431
   50    49 S   HC   _H19    43     1.09232   108.22455   -50.32007
   51    49 S   HC   _H20    44     1.09604   107.44476    66.56700
   52    49 S   CT   _C7_    45     1.52461   111.71451  -172.12583
   53    52 S   HC   _H21    46     1.09532   111.55243    55.00723
   54    52 S   HC   _H22    47     1.09571   109.70769   -63.08246
   55    52 S   S    _S15    48     1.82258   111.90889   177.86778
   56    55 S   CT   _C5_    49     1.81129    99.37346   -75.29118
   57    56 S   HC   _H16    50     1.09341   108.92947  -174.16467
   58    56 S   HC   _H17    51     1.09234   110.91768    66.89022
   59    56 S   HC   _H18    52     1.09304   110.53416   -55.20612
  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   8   5   4   3
  13   6   2   1   1  11   6   6  10   5   2   1   3   2   1   1
   7   5   4   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    43    44    40    45    46    47    48  
   38    39    41    43    40    45  
   36    37  
   37  
    0  
   39    41    42    49    50    51    52    43    44    40    45  
   41    42    49    43    44    40  
   45    46    47    48    41    43  
   42    49    50    51    52    53    54    55    43    44  
   49    50    51    52    43  
   44    49  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56    57    58    59  
   57    58    59  
   58    59  
   59  
    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   0.307500   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    43   320.000  1.410
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   222.000  1.810
   55    56   222.000  1.810
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   43    44   553.000  0.945
   40    45   230.000  1.630
   45    46   525.000  1.516
   45    47   525.000  1.516
   45    48   525.000  1.516
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    40    45    80.00000  112.68000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    49    70.00000  116.00000
   38    43    44    55.00000  108.50000
   41    38    39    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    75.00000  111.63000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    62.00000   98.90000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    90.00000  109.61100
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    45    46   100.00000  107.00000
   40    45    47   100.00000  107.00000
   40    45    48   100.00000  107.00000
   47    45    46   140.00000  114.00000
   48    45    46   140.00000  114.00000
   48    45    47   140.00000  114.00000
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   0.01700  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    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    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    45   0.37500  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    49   0.60050  1.0 1.0
   33    38    41    49   0.05600 -1.0 2.0
   33    38    41    49   0.26150  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    40    45    46   0.00000  1.0 1.0
   33    40    45    47   0.00000  1.0 1.0
   33    40    45    48   0.00000  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    40    45   0.03000  1.0 3.0
   38    33    40    45  -2.65550  1.0 1.0
   38    33    40    45  -0.22350 -1.0 2.0
   38    33    40    45   0.24150  1.0 3.0
   38    41    49    50   0.00000  1.0 1.0
   38    41    49    51   0.00000  1.0 1.0
   38    41    49    52   0.60050  1.0 1.0
   38    41    49    52   0.05600 -1.0 2.0
   38    41    49    52   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    49   0.00000  1.0 1.0
   39    38    43    44   0.19450  1.0 3.0
   41    38    43    44   0.91850  1.0 1.0
   41    38    43    44   0.57950  1.0 3.0
   41    49    52    53  -0.11250  1.0 3.0
   41    49    52    54  -0.11250  1.0 3.0
   41    49    52    55   0.56750  1.0 1.0
   41    49    52    55  -0.07550 -1.0 2.0
   41    49    52    55   0.20000  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    52   0.30150 -1.0 2.0
   49    52    55    56   0.01700  1.0 1.0
   49    52    55    56  -0.23550 -1.0 2.0
   49    52    55    56   0.21350  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    56    57   0.32350  1.0 3.0
   52    55    56    58   0.32350  1.0 3.0
   52    55    56    59   0.32350  1.0 3.0
   53    52    55    56   0.32350  1.0 3.0
   54    52    55    56   0.32350  1.0 3.0
   43    38    41    42   0.30150 -1.0 2.0
   43    38    41    49   0.55300  1.0 1.0
   43    38    41    49   1.25850 -1.0 2.0
   43    38    41    49  -0.23600  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    43   3.69350  1.0 1.0
   40    33    38    43  -1.82950 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    49    41    42  10.50000 -1.0 2.0
END
