* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    109    161     320
    1     0 S   NP   _N1_     1    29.39191    91.97149   -22.81624
    2     1 S   H    _HN1     2     1.02795    83.92688  -119.43397
    3     1 S   H    _H1_     3     1.02880   106.48757   -12.23019
    4     1 S   H    _H2_     4     1.02958    25.91034    83.59082
    5     1 S   CT   _CA1     5     1.50471   130.64056   126.57180
    6     5 S   HC   _HA1     6     1.09682   104.75339    44.66463
    7     5 S   CO3  _C1_     7     1.54553   110.81207   -71.53665
    8     7 S   O2Z  _O11     8     1.26107   116.71543  -114.70364
    9     7 S   O2Z  _O12     9     1.26542   113.72346    63.98433
   10     5 S   CT   _CB1    10     1.53055   107.03341   160.78273
   11    10 S   HC   HB11    11     1.09832   110.18754   -43.90984
   12    10 S   HC   HB12    12     1.09736   109.86250    72.49663
   13    10 S   CT   _CG1    13     1.53104   112.33126  -164.50145
   14    13 S   HC   HG11    14     1.09542   110.86833   -49.38670
   15    13 S   HC   HG12    15     1.09629   109.94878    69.52535
   16    13 S   C    _CD1    16     1.51708   112.07695  -169.98292
   17    16 S   O    _OE1    17     1.22739   123.24920    -9.05093
   18    16 S   N    _N2_    18     1.38657   111.81078   170.93458
   19    18 S   H    _HN2    19     1.01558   119.18120     5.49116
   20    18 S   CT1  _CA2    20     1.46035   123.16643  -173.94314
   21    20 S   HC   _HA2    21     1.09620   109.12134     5.49865
   22    20 S   C    _C2_    22     1.53463   109.61191  -110.15415
   23    22 S   O    _O2_    23     1.23074   121.93837  -146.39325
   24    20 S   CT   _CB2    32     1.53595   111.61337   126.92057
   25    24 S   HC   HB21    33     1.09665   109.54767    70.67623
   26    24 S   HC   HB22    34     1.09585   110.53529  -172.33126
   27    22 S   N    _N3_    24     1.38413   113.81161    41.04449
   28    27 S   H    _HN3    25     1.01468   119.10585     0.12972
   29    24 S   S    _SG2    35     1.83011   115.42118   -48.79845
   30    27 S   CT   _CA3    26     1.45451   123.29034   175.35835
   31    30 S   HC   HA31    27     1.09533   109.11793    27.27843
   32    30 S   HC   HA32    28     1.09495   107.15898   144.23576
   33    29 S   CT   _C9_    36     1.82868   100.34035   -62.31496
   34    33 S   HC   _H9_    37     1.09523   107.31974   -62.08623
   35    33 S   HC   _H10    38     1.09280   109.26947    55.44904
   36    30 S   CO3  _C3_    29     1.52921   113.15162   -96.13134
   37    36 S   O2Z  _O31    30     1.26397   115.40078   -45.61521
   38    36 S   O2Z  _O32    31     1.26358   114.99334   135.33093
   39    33 S   CT   _C7_    39     1.53385   111.65420   177.30427
   40    39 S   CT   _C6_    40     1.52626   112.30449  -173.71394
   41    40 S   HC   _H4_    41     1.09774   110.24045    48.27980
   42    39 S   OH   _O35    60     1.43553   109.16675    65.71434
   43    42 S   HO   _H11    61     0.97319   107.25882   -56.60264
   44    40 S   CT   _C5_    42     1.52373   101.92770   165.89157
   45    44 S   HC   _H3_    43     1.09704   111.56060    84.68588
   46    40 S   OH   _O36    58     1.41552   112.74692   -72.85225
   47    46 S   HO   _H12    59     0.97221   107.76451  -174.00312
   48    44 S   OS   _O33    44     1.44326   105.96238   -31.77732
   49    44 S   CT   _C4_    49     1.52330   112.82333  -151.45659
   50    49 S   HC   _H6_    50     1.09504   110.68533    68.41788
   51    49 S   HC   _H7_    51     1.09428   110.78947   -53.08839
   52    39 S   CO   _C8_    45     1.53472   117.53364   -58.71285
   53    52 S   HC   _H5_    46     1.09509   112.72342    83.69187
   54    49 S   OS   _O37    52     1.42459   108.79958  -171.91541
   55    52 S   OH   _O34    47     1.42045   110.79437   -39.53608
   56    55 S   HO   _H8_    48     0.97583   107.05091   160.28646
   57    54 S   P2   _P1_    53     1.63192   118.66701  -169.35772
   58    57 S   O2Z  _O40    54     1.51149   108.54773  -176.71574
   59    57 S   O2Z  _O38    55     1.51160   109.86842   -42.46024
   60    57 S   OS   _O39    56     1.63098    99.15099    71.24892
   61    60 S   HO   _H13    57     0.97888   115.94975    80.25105
  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   7   5   4   3
  13   5   4   2   1   1  14  15   8   7   1  12   7   4   1   8
   8   3   2   3   2   5   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    52    53    55    46    42    43  
   35    39    40    52    42  
   39    40    52    42  
   37    38  
   38  
    0  
   40    41    44    45    48    52    53    55    56    49    46    47    42    43  
   41    44    45    48    52    53    55    49    50    51    54    46    47    42    43  
   44    45    48    52    49    46    47    42  
   43    44    46    48    52    53    55  
   52  
   45    48    52    53    55    49    50    51    54    57    46    47  
   48    52    49    50    51    54    46  
   47    48    49    52  
    0  
   52    53    55    56    49    50    51    54  
   50    51    54    57    58    59    60    52  
   51    54    57  
   54    57  
   53    55    56  
   55    56  
   57    58    59    60    61  
   56  
    0  
   58    59    60    61  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    52   250.000  1.527
   39    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   320.000  1.410
   44    49   268.000  1.529
   48    52   320.000  1.380
   52    53   340.000  1.090
   52    55   380.000  1.407
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   320.000  1.410
   54    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    52    75.00000  109.43000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    52    48    90.00000  108.56700
   39    52    53    45.00000  112.01100
   39    52    55    90.00000  110.19100
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    58.35000  112.70000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    52    60.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    55   110.00000  112.08000
   52    39    40    75.00000  109.43000
   52    55    56    70.00000  107.92000
   55    52    53    60.00000  108.02500
   49    44    45    37.50000  110.70000
   49    44    48    50.00000  109.50000
   49    54    57   100.00000  120.50000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    57    58   100.00000  108.23000
   54    57    59   100.00000  108.23000
   54    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    39    40    50.00000  109.50000
   42    39    52    90.00000  111.58700
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.86500  1.0 1.0
   33    39    40    46  -0.17500 -1.0 2.0
   33    39    40    46   0.20800  1.0 3.0
   33    39    52    48   0.62750  1.0 1.0
   33    39    52    48  -0.30950 -1.0 2.0
   33    39    52    48   0.27300  1.0 3.0
   33    39    52    53   0.15000  1.0 3.0
   33    39    52    55   0.86500  1.0 1.0
   33    39    52    55  -0.17500 -1.0 2.0
   33    39    52    55   0.20800  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    52   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    48   0.62750  1.0 1.0
   39    40   -44    48  -0.30950 -1.0 2.0
   39    40   -44    48   0.27300  1.0 3.0
   39    40    44    49   0.56750  1.0 1.0
   39    40    44    49  -0.07550 -1.0 2.0
   39    40    44    49   0.20000  1.0 3.0
   39    40    46    47  -0.11600  1.0 1.0
   39    40    46    47  -0.09450 -1.0 2.0
   39    40    46    47   0.21250  1.0 3.0
   39    52    55    56  -0.11600  1.0 1.0
   39    52    55    56  -0.09450 -1.0 2.0
   39    52    55    56   0.21250  1.0 3.0
   40    39   -52    48   0.62750  1.0 1.0
   40    39   -52    48  -0.30950 -1.0 2.0
   40    39   -52    48   0.27300  1.0 3.0
   40    39    52    53   0.15000  1.0 3.0
   40    39    52    55   0.86500  1.0 1.0
   40    39    52    55  -0.17500 -1.0 2.0
   40    39    52    55   0.20800  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44   -48    52   0.06250  1.0 1.0
   40    44   -48    52  -0.01100 -1.0 2.0
   40    44   -48    52   0.28050  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    54   0.62750  1.0 1.0
   40    44    49    54  -0.30950 -1.0 2.0
   40    44    49    54   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.15000  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   -52    39   0.06250  1.0 1.0
   44    48   -52    39  -0.01100 -1.0 2.0
   44    48   -52    39   0.28050  1.0 3.0
   44    48    52    53   0.37050  1.0 3.0
   44    48    52    55  -0.70900  1.0 1.0
   44    48    52    55  -1.18000 -1.0 2.0
   44    48    52    55   0.91650  1.0 3.0
   44    49    54    57  -2.65550  1.0 1.0
   44    49    54    57  -0.22350 -1.0 2.0
   44    49    54    57   0.24150  1.0 3.0
   45    44    48    52   0.37050  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    54   0.23400  1.0 3.0
   48    44    49    50   0.23400  1.0 3.0
   48    44    49    51   0.23400  1.0 3.0
   48    44    49    54   1.11900  1.0 1.0
   48    44    49    54  -1.16350 -1.0 2.0
   48    44    49    54  -0.34150  1.0 3.0
   48    52    55    56  -0.50000  1.0 1.0
   48    52    55    56  -0.73950 -1.0 2.0
   48    52    55    56   0.17150  1.0 3.0
   52    39    40    41   0.15000  1.0 3.0
   52    39   -40    44   3.97050  1.0 1.0
   52    39    40    46   0.86500  1.0 1.0
   52    39    40    46  -0.17500 -1.0 2.0
   52    39    40    46   0.20800  1.0 3.0
   52    39    42    43  -0.11600  1.0 1.0
   52    39    42    43  -0.09450 -1.0 2.0
   52    39    42    43   0.21250  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   49    44    48    52   0.06250  1.0 1.0
   49    44    48    52  -0.01100 -1.0 2.0
   49    44    48    52   0.28050  1.0 3.0
   49    54    57    58   0.00000  1.0 1.0
   49    54    57    59   0.00000  1.0 1.0
   49    54    57    60   0.05050  1.0 1.0
   49    54    57    60  -1.30700 -1.0 2.0
   49    54    57    60   0.91550  1.0 3.0
   50    49    54    57   0.03000  1.0 3.0
   51    49    54    57   0.03000  1.0 3.0
   54    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.75450  1.0 1.0
   42    39    52    48   3.69350  1.0 1.0
   42    39    52    48  -1.82950 -1.0 2.0
   42    39    52    53   0.23400  1.0 3.0
   42    39    52    55   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
   37    30    36    38  10.50000 -1.0 2.0
END
