* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    145     290
    1     0 S   NP   _N1_     1    29.27283    96.75386   -18.42316
    2     1 S   H    _HN1     2     1.02784    67.58467   -74.54746
    3     1 S   H    _H1_     3     1.02959    90.24747    35.16818
    4     1 S   H    _H2_     4     1.02839    51.68909   146.97532
    5     1 S   CT   _CA1     5     1.50083   157.25928  -168.70366
    6     5 S   HC   _HA1     6     1.09589   105.24102    23.31739
    7     5 S   CO3  _C1_     7     1.53742   112.28792   -96.73540
    8     7 S   O2Z  _O11     8     1.26321   115.07819   -49.44728
    9     7 S   O2Z  _O12     9     1.26248   114.84210   129.74489
   10     5 S   CT   _CB1    10     1.53081   107.41399   140.92650
   11    10 S   HC   HB11    11     1.09813   109.13689   -53.35888
   12    10 S   HC   HB12    12     1.09809   110.53134    63.07538
   13    10 S   CT   _CG1    13     1.52974   112.63859  -174.62353
   14    13 S   HC   HG11    14     1.09554   110.25368   -63.38922
   15    13 S   HC   HG12    15     1.09640   110.16033    55.59877
   16    13 S   C    _CD1    16     1.51824   112.24088   175.50774
   17    16 S   O    _OE1    17     1.22722   123.15751   -14.37005
   18    16 S   N    _N2_    18     1.38528   111.70915   167.01039
   19    18 S   H    _HN2    19     1.01607   118.96072    -0.77733
   20    18 S   CT1  _CA2    20     1.46253   123.55924   178.68151
   21    20 S   HC   _HA2    21     1.09729   109.47157   -14.72727
   22    20 S   C    _C2_    22     1.53481   107.79662  -130.19469
   23    22 S   O    _O2_    23     1.22993   122.42814  -144.08253
   24    20 S   CT   _CB2    32     1.53310   111.29507   107.81267
   25    24 S   HC   HB21    33     1.09392   109.27607    51.66195
   26    24 S   HC   HB22    34     1.09476   110.53851   169.86185
   27    22 S   N    _N3_    24     1.38571   113.23688    43.18288
   28    27 S   H    _HN3    25     1.01528   118.89526    -0.57607
   29    24 S   S    _SG2    35     1.83175   111.68126   -71.44536
   30    27 S   CT   _CA3    26     1.45449   123.45945   175.05046
   31    30 S   HC   HA31    27     1.09521   109.25879    24.05407
   32    30 S   HC   HA32    28     1.09495   107.11809   141.07136
   33    29 S   CT   _C8_    36     1.88945   101.08663   142.71895
   34    33 S   Cl   Cl3_    37     1.82475   109.19395   171.10863
   35    30 S   CO3  _C3_    29     1.52929   113.08991   -99.42953
   36    35 S   O2Z  _O31    30     1.26404   115.39680   -44.36281
   37    35 S   O2Z  _O32    31     1.26353   114.98597   136.55998
   38    33 S   CM   _C9_    38     1.57963   111.14700    52.21904
   39    38 S   CM   _C10    39     1.50395   114.01030  -126.66675
   40    39 S   Cl   Cl2_    40     1.76162   119.85901  -166.64736
   41    38 S   CMA  _C12    53     1.38636   120.76472    52.28676
   42    41 S   OM   _O35    54     1.27107   125.92131     8.38939
   43    39 S   CM   _C11    41     1.35427   123.24449     7.61211
   44    43 S   Cl   Cl1_    42     1.75483   121.74802   178.86013
   45    41 S   OS   _O36    55     1.40985   114.58409  -172.42506
   46    43 S   CM   _C6_    43     1.44780   122.58523    -3.48155
   47    45 S   CT   _C13    56     1.42913   112.93279   121.12562
   48    47 S   HC   _H6_    57     1.09400   107.75237  -170.39209
   49    47 S   HC   _H7_    58     1.09475   111.10283    71.57162
   50    47 S   HC   _H8_    59     1.09545   111.10431   -52.14427
   51    33 S   CM   _C7_    44     1.52829   105.89044   -74.77025
   52    51 S   Cl   Cl4_    45     1.75800   116.95053   -57.19247
   53    46 S   CO4  _C5_    46     1.48323   120.70406   179.91607
   54    53 S   O    _O34    47     1.22107   124.03416    82.29053
   55    53 S   OS   _O33    48     1.35976   108.21570   -96.99127
   56    55 S   CT   _C4_    49     1.43020   114.90245  -179.46332
   57    56 S   HC   _H3_    50     1.09322   108.09261   171.63839
   58    56 S   HC   _H4_    51     1.09418   110.72883    52.71573
   59    56 S   HC   _H5_    52     1.09392   109.85860   -69.75110
  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
  12   6   2   1   1  11   9   4   8   2   7   3   4   6   3   2
   1   1   4   1   6   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    51    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    52    53    41    42    45  
   38    39    46    51    52    41  
   36    37  
   37  
    0  
   39    40    43    44    46    51    52    41    42    45    47  
   40    43    44    46    51    53    41    42    45  
   43    44    46    41  
   42    45    47    48    49    50    43    51  
   45    47  
   44    46    51    52    53    54    55  
   46    51    53  
   47    48    49    50  
   51    52    53    54    55    56  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55  
   53  
   54    55    56    57    58    59  
   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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   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   245.000  1.781
   33    38   317.000  1.510
   33    51   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   300.000  1.725
   39    43   549.000  1.340
   43    44   300.000  1.725
   43    46   380.000  1.444
   46    51   549.000  1.340
   46    53   320.000  1.462
   51    52   300.000  1.725
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    51    46    70.00000  124.00000
   33    51    52    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    40    75.00000  121.50000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    80.00000  120.01400
   39    43    44    75.00000  121.50000
   39    43    46    70.00000  123.01800
   43    39    40    75.00000  121.50000
   43    46    51    70.00000  123.01800
   43    46    53    65.00000  118.96000
   46    43    44    75.00000  121.50000
   46    51    52    75.00000  121.50000
   46    53    54    80.00000  123.72100
   46    53    55    90.00000  111.29400
   51    33    34    75.00000  111.90500
   51    33    38    70.00000  110.12100
   53    46    51    65.00000  118.96000
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   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
   41    38    39    70.00000  117.34000
   41    45    47    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  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    51    46   0.42700  1.0 1.0
   29    33    51    46  -0.70350 -1.0 2.0
   29    33    51    46  -0.43150  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   33    38    39    40   1.08500 -1.0 2.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    51    46   0.09700  1.0 1.0
   34    33    51    46   0.15600 -1.0 2.0
   34    33    51    46  -0.50800  1.0 3.0
   34    33    51    52   0.09700  1.0 1.0
   34    33    51    52   0.15600 -1.0 2.0
   34    33    51    52  -0.50800  1.0 3.0
   38    33    51    46  -0.28300  1.0 1.0
   38    33    51    46   0.26700 -1.0 2.0
   38    33    51    46  -0.63300  1.0 3.0
   38    33    51    52   0.09700  1.0 1.0
   38    33    51    52   0.15600 -1.0 2.0
   38    33    51    52  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    41    45    47  -2.26850  1.0 1.0
   38    41    45    47   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    46    51   0.28850  1.0 1.0
   39    43    46    51   2.61350 -1.0 2.0
   39    43    46    51   0.78400  1.0 3.0
   39    43    46    53  -0.18600  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46   -51    33   7.00000 -1.0 2.0
   43    46    51    52   7.00000 -1.0 2.0
   43    46    53    54   1.00000 -1.0 2.0
   43    46    53    55  -0.56150  1.0 1.0
   43    46    53    55   2.19150 -1.0 2.0
   44    43    46    51  -0.18600  1.0 3.0
   44    43    46    53   1.08500 -1.0 2.0
   46    53    55    56   2.00000 -1.0 2.0
   51    33   -38    39  -0.28300  1.0 1.0
   51    33   -38    39   0.26700 -1.0 2.0
   51    33   -38    39  -0.63300  1.0 3.0
   51    33    38    41  -0.28300  1.0 1.0
   51    33    38    41   0.26700 -1.0 2.0
   51    33    38    41  -0.63300  1.0 3.0
   51    46    53    54   1.00000 -1.0 2.0
   51    46    53    55  -0.56150  1.0 1.0
   51    46    53    55   2.19150 -1.0 2.0
   53    46    51    33   7.00000 -1.0 2.0
   53    46    51    52   7.00000 -1.0 2.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58   0.08050  1.0 3.0
   53    55    56    59   0.08050  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   41    45    47    48   0.08050  1.0 3.0
   41    45    47    49   0.08050  1.0 3.0
   41    45    47    50   0.08050  1.0 3.0
   42    41    45    47   2.00000 -1.0 2.0
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    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   46    44    43    39   1.10000 -1.0 2.0
   43    53    46    51   1.10000 -1.0 2.0
   33    52    51    46   1.10000 -1.0 2.0
   46    55    53    54  10.50000 -1.0 2.0
   42    45    41    38   1.10000 -1.0 2.0
END
