* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    115    182     338
    1     0 S   NP   _N1_     1    28.74516    94.12477   -21.39918
    2     1 S   H    _HN1     2     1.02963    93.82092    36.41812
    3     1 S   H    _H1_     3     1.02835    26.49846   158.04019
    4     1 S   H    _H2_     4     1.02776    91.35847   -72.04201
    5     1 S   CT   _CA1     5     1.50105   137.20260   162.31115
    6     5 S   HC   _HA1     6     1.09574   105.26826    57.11684
    7     5 S   CO3  _C1_     7     1.53812   112.37565   -63.15191
    8     7 S   O2Z  _O11     8     1.26357   115.01587   -44.41633
    9     7 S   O2Z  _O12     9     1.26241   114.92363   134.86562
   10     5 S   CT   _CB1    10     1.53104   107.43305   175.04710
   11    10 S   HC   HB11    11     1.09820   109.40158   -50.95359
   12    10 S   HC   HB12    12     1.09825   110.37809    65.60793
   13    10 S   CT   _CG1    13     1.52991   112.64703  -172.09595
   14    13 S   HC   HG11    14     1.09604   110.34396   -61.78671
   15    13 S   HC   HG12    15     1.09636   110.10719    57.42658
   16    13 S   C    _CD1    16     1.51790   112.30126   177.79371
   17    16 S   O    _OE1    17     1.22711   123.28270    -7.44337
   18    16 S   N    _N2_    18     1.38599   111.57541   172.79552
   19    18 S   H    _HN2    19     1.01593   118.97048     1.76625
   20    18 S   CT1  _CA2    20     1.46223   123.47915  -177.75197
   21    20 S   HC   _HA2    21     1.09734   109.39296   -15.23370
   22    20 S   C    _C2_    22     1.53438   108.17975  -130.93350
   23    22 S   O    _O2_    23     1.23002   122.28395  -145.47926
   24    20 S   CT   _CB2    32     1.53710   111.32919   106.98825
   25    24 S   HC   HB21    33     1.09233   109.01103    54.63782
   26    24 S   HC   HB22    34     1.09313   109.63538   172.97334
   27    22 S   N    _N3_    24     1.38513   113.30971    41.83544
   28    27 S   H    _HN3    25     1.01533   118.91556    -0.57505
   29    24 S   S    _SG2    35     1.82891   111.26801   -67.58129
   30    27 S   CT   _CA3    26     1.45456   123.49444   175.18379
   31    30 S   HC   HA31    27     1.09519   109.30160    22.93369
   32    30 S   HC   HA32    28     1.09497   107.09763   139.95030
   33    29 S   CT   _C8_    36     1.84802   103.63109   161.27929
   34    30 S   CO3  _C3_    29     1.52925   113.10614  -100.59106
   35    34 S   O2Z  _O31    30     1.26403   115.41008   -44.02631
   36    34 S   O2Z  _O32    31     1.26355   114.98090   136.92191
   37    33 S   CM   _C6_    37     1.56167   113.84695   -79.48813
   38    37 S   CT   _C5_    38     1.54365   108.58455  -156.77905
   39    37 S   CM   _C7_    58     1.34321   128.36305    19.74943
   40    39 S   HC   _H6_    59     1.08536   121.18508  -178.53033
   41    39 S   HC   _H7_    60     1.08141   123.21990     1.19828
   42    38 S   CT   _C10    39     1.60802    98.81144     3.03564
   43    42 S   Cl   Cl5_    40     1.77712   112.20468   157.29595
   44    38 S   CT   _C4_    50     1.56045   114.21806   124.86768
   45    44 S   HC   _H3_    51     1.09792   110.37199   168.83884
   46    44 S   HC   _H4_    52     1.09625   111.60708    50.71143
   47    44 S   HC   _H5_    53     1.08553   115.97338   -71.51130
   48    38 S   CT   _C13    54     1.54515   109.95587  -121.23062
   49    48 S   HC   _H8_    55     1.09520   111.25889   164.22095
   50    48 S   HC   _H9_    56     1.09034   113.80877    39.42454
   51    48 S   HC   _H10    57     1.09869   111.08001   -77.72858
   52    33 S   CT   _C9_    41     1.57379   110.99813   171.27562
   53    52 S   Cl   Cl6_    42     1.81343   114.09563    55.10344
   54    52 S   Cl   Cl7_    43     1.79996   115.19418   -60.94134
   55    42 S   CT   _C11    44     1.60184   113.02546   -73.49008
   56    55 S   Cl   Cl3_    45     1.80771   116.06411   -59.29473
   57    55 S   Cl   Cl4_    46     1.84952   112.02098  -170.32681
   58    33 S   CT   _C12    47     1.60639   119.08617    51.78093
   59    58 S   Cl   Cl1_    48     1.81598   111.08201   -83.29355
   60    58 S   Cl   Cl2_    49     1.81350   113.23619    32.20849
  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  12   5   4   3
  18   2   1   1  21  20   7   1   1  18   9   9   3   2   1   5
   2   1   1   8   3   2   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    53    54    55    58    59    60    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    52    53    54    55    56    57    58    59    60    44    48    39    40    41  
   35    36  
   36  
    0  
   38    42    43    52    53    54    55    58    59    60    44    45    46    47    48    49    50    51    39    40    41  
   42    43    52    53    54    55    56    57    58    44    45    46    47    48    49    50    51    39    40    41  
   40    41    42    44    48    52    58  
   41  
    0  
   43    52    53    54    55    56    57    58    59    60    44    45    46    47    48    49    50    51  
   52    53    54    55    56    57    58    44    48  
   45    46    47    48    49    50    51    52    55  
   46    47    48  
   47    48  
   48  
   49    50    51    52    55  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59    60  
   54    55    58  
   55    58  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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   0.424700   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   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   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   54   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   55   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   57   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   58   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   60   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    52   268.000  1.529
   33    58   268.000  1.529
   37    38   317.000  1.510
   37    39   549.000  1.340
   38    42   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   42    43   245.000  1.781
   42    52   268.000  1.529
   42    55   268.000  1.529
   52    53   245.000  1.781
   52    54   245.000  1.781
   55    56   245.000  1.781
   55    57   245.000  1.781
   55    58   268.000  1.529
   58    59   245.000  1.781
   58    60   245.000  1.781
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    40   340.000  1.080
   39    41   340.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    52    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    37    38    65.00000  117.92700
   33    37    39    70.00000  124.00000
   33    52    42    58.35000  112.70000
   33    52    53    69.00000  109.80000
   33    52    54    69.00000  109.80000
   33    58    55    58.35000  112.70000
   33    58    59    69.00000  109.80000
   33    58    60    69.00000  109.80000
   37    38    42    70.00000  112.02700
   37    38    44    70.00000  112.02700
   37    38    48    70.00000  112.02700
   37    39    40    35.00000  120.00000
   37    39    41    35.00000  120.00000
   38    42    43    69.00000  109.80000
   38    42    52    58.35000  112.70000
   38    42    55    58.35000  112.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    50    37.50000  110.70000
   38    48    51    37.50000  110.70000
   42    52    53    69.00000  109.80000
   42    52    54    69.00000  109.80000
   42    55    56    69.00000  109.80000
   42    55    57    69.00000  109.80000
   42    55    58    58.35000  112.70000
   52    33    37    70.00000  112.02700
   52    42    43    69.00000  109.80000
   54    52    53    80.00000  110.42200
   55    42    43    69.00000  109.80000
   55    42    52    58.35000  112.70000
   55    58    59    69.00000  109.80000
   55    58    60    69.00000  109.80000
   57    55    56    80.00000  110.42200
   58    33    37    70.00000  112.02700
   58    33    52    58.35000  112.70000
   58    55    56    69.00000  109.80000
   58    55    57    69.00000  109.80000
   60    58    59    80.00000  110.42200
   44    38    42    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    42    58.35000  112.70000
   48    38    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    37    38    70.00000  124.00000
   41    39    40    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    37    38   0.30250  1.0 1.0
   29    33    37    38  -0.14950 -1.0 2.0
   29    33    37    38   0.36900  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    52    42   0.44750  1.0 1.0
   29    33    52    42  -0.17800 -1.0 2.0
   29    33    52    42   0.20200  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   29    33    58    55   0.44750  1.0 1.0
   29    33    58    55  -0.17800 -1.0 2.0
   29    33    58    55   0.20200  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.56750  1.0 1.0
   29    33    58    60  -0.07550 -1.0 2.0
   29    33    58    60   0.20000  1.0 3.0
   33    37   -38    42   0.46850  1.0 1.0
   33    37   -38    42   0.08550 -1.0 2.0
   33    37   -38    42   0.09800  1.0 3.0
   33    37    38    44   0.46850  1.0 1.0
   33    37    38    44   0.08550 -1.0 2.0
   33    37    38    44   0.09800  1.0 3.0
   33    37    38    48   0.46850  1.0 1.0
   33    37    38    48   0.08550 -1.0 2.0
   33    37    38    48   0.09800  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    41   7.00000 -1.0 2.0
   37    33   -52    42   0.34400  1.0 1.0
   37    33   -52    42   0.09450 -1.0 2.0
   37    33   -52    42   0.11100  1.0 3.0
   37    33    52    53   0.56750  1.0 1.0
   37    33    52    53  -0.07550 -1.0 2.0
   37    33    52    53   0.20000  1.0 3.0
   37    33    52    54   0.56750  1.0 1.0
   37    33    52    54  -0.07550 -1.0 2.0
   37    33    52    54   0.20000  1.0 3.0
   37    33    58    55   0.34400  1.0 1.0
   37    33    58    55   0.09450 -1.0 2.0
   37    33    58    55   0.11100  1.0 3.0
   37    33    58    59   0.56750  1.0 1.0
   37    33    58    59  -0.07550 -1.0 2.0
   37    33    58    59   0.20000  1.0 3.0
   37    33    58    60   0.56750  1.0 1.0
   37    33    58    60  -0.07550 -1.0 2.0
   37    33    58    60   0.20000  1.0 3.0
   37    38    42    43   0.56750  1.0 1.0
   37    38    42    43  -0.07550 -1.0 2.0
   37    38    42    43   0.20000  1.0 3.0
   37    38   -42    52   0.34400  1.0 1.0
   37    38   -42    52   0.09450 -1.0 2.0
   37    38   -42    52   0.11100  1.0 3.0
   37    38   -42    55   0.34400  1.0 1.0
   37    38   -42    55   0.09450 -1.0 2.0
   37    38   -42    55   0.11100  1.0 3.0
   37    38    44    45   0.15000  1.0 3.0
   37    38    44    46   0.15000  1.0 3.0
   37    38    44    47   0.15000  1.0 3.0
   37    38    48    49   0.15000  1.0 3.0
   37    38    48    50   0.15000  1.0 3.0
   37    38    48    51   0.15000  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    41   7.00000 -1.0 2.0
   38    42   -52    33   0.56750  1.0 1.0
   38    42   -52    33  -0.07550 -1.0 2.0
   38    42   -52    33   0.20000  1.0 3.0
   38    42    52    53   0.35600  1.0 1.0
   38    42    52    53  -0.14650 -1.0 2.0
   38    42    52    53   0.33350  1.0 3.0
   38    42    52    54   0.35600  1.0 1.0
   38    42    52    54  -0.14650 -1.0 2.0
   38    42    52    54   0.33350  1.0 3.0
   38    42    55    56   0.35600  1.0 1.0
   38    42    55    56  -0.14650 -1.0 2.0
   38    42    55    56   0.33350  1.0 3.0
   38    42    55    57   0.35600  1.0 1.0
   38    42    55    57  -0.14650 -1.0 2.0
   38    42    55    57   0.33350  1.0 3.0
   38    42    55    58   0.56750  1.0 1.0
   38    42    55    58  -0.07550 -1.0 2.0
   38    42    55    58   0.20000  1.0 3.0
   42    38    44    45   0.15000  1.0 3.0
   42    38    44    46   0.15000  1.0 3.0
   42    38    44    47   0.15000  1.0 3.0
   42    38    48    49   0.15000  1.0 3.0
   42    38    48    50   0.15000  1.0 3.0
   42    38    48    51   0.15000  1.0 3.0
   42    55   -58    33   0.56750  1.0 1.0
   42    55   -58    33  -0.07550 -1.0 2.0
   42    55   -58    33   0.20000  1.0 3.0
   42    55    58    59   0.35600  1.0 1.0
   42    55    58    59  -0.14650 -1.0 2.0
   42    55    58    59   0.33350  1.0 3.0
   42    55    58    60   0.35600  1.0 1.0
   42    55    58    60  -0.14650 -1.0 2.0
   42    55    58    60   0.33350  1.0 3.0
   43    42    52    33   0.35600  1.0 1.0
   43    42    52    33  -0.14650 -1.0 2.0
   43    42    52    33   0.33350  1.0 3.0
   43    42    52    53   0.22500  1.0 1.0
   43    42    52    54   0.22500  1.0 1.0
   43    42    55    56   0.22500  1.0 1.0
   43    42    55    57   0.22500  1.0 1.0
   43    42    55    58   0.35600  1.0 1.0
   43    42    55    58  -0.14650 -1.0 2.0
   43    42    55    58   0.33350  1.0 3.0
   52    33   -37    38   0.46850  1.0 1.0
   52    33   -37    38   0.08550 -1.0 2.0
   52    33   -37    38   0.09800  1.0 3.0
   52    33    37    39   0.09850  1.0 1.0
   52    33    37    39   0.15250 -1.0 2.0
   52    33    37    39  -0.50650  1.0 3.0
   52    33   -58    55   0.56750  1.0 1.0
   52    33   -58    55  -0.07550 -1.0 2.0
   52    33   -58    55   0.20000  1.0 3.0
   52    33    58    59   0.35600  1.0 1.0
   52    33    58    59  -0.14650 -1.0 2.0
   52    33    58    59   0.33350  1.0 3.0
   52    33    58    60   0.35600  1.0 1.0
   52    33    58    60  -0.14650 -1.0 2.0
   52    33    58    60   0.33350  1.0 3.0
   52    42    55    56   0.35600  1.0 1.0
   52    42    55    56  -0.14650 -1.0 2.0
   52    42    55    56   0.33350  1.0 3.0
   52    42    55    57   0.35600  1.0 1.0
   52    42    55    57  -0.14650 -1.0 2.0
   52    42    55    57   0.33350  1.0 3.0
   52    42   -55    58   0.56750  1.0 1.0
   52    42   -55    58  -0.07550 -1.0 2.0
   52    42   -55    58   0.20000  1.0 3.0
   55    42   -52    33   0.56750  1.0 1.0
   55    42   -52    33  -0.07550 -1.0 2.0
   55    42   -52    33   0.20000  1.0 3.0
   55    42    52    53   0.35600  1.0 1.0
   55    42    52    53  -0.14650 -1.0 2.0
   55    42    52    53   0.33350  1.0 3.0
   55    42    52    54   0.35600  1.0 1.0
   55    42    52    54  -0.14650 -1.0 2.0
   55    42    52    54   0.33350  1.0 3.0
   56    55    58    33   0.35600  1.0 1.0
   56    55    58    33  -0.14650 -1.0 2.0
   56    55    58    33   0.33350  1.0 3.0
   56    55    58    59   0.22500  1.0 1.0
   56    55    58    60   0.22500  1.0 1.0
   57    55    58    33   0.35600  1.0 1.0
   57    55    58    33  -0.14650 -1.0 2.0
   57    55    58    33   0.33350  1.0 3.0
   57    55    58    59   0.22500  1.0 1.0
   57    55    58    60   0.22500  1.0 1.0
   58    33   -37    38   0.46850  1.0 1.0
   58    33   -37    38   0.08550 -1.0 2.0
   58    33   -37    38   0.09800  1.0 3.0
   58    33    37    39   0.09850  1.0 1.0
   58    33    37    39   0.15250 -1.0 2.0
   58    33    37    39  -0.50650  1.0 3.0
   58    33   -52    42   0.56750  1.0 1.0
   58    33   -52    42  -0.07550 -1.0 2.0
   58    33   -52    42   0.20000  1.0 3.0
   58    33    52    53   0.35600  1.0 1.0
   58    33    52    53  -0.14650 -1.0 2.0
   58    33    52    53   0.33350  1.0 3.0
   58    33    52    54   0.35600  1.0 1.0
   58    33    52    54  -0.14650 -1.0 2.0
   58    33    52    54   0.33350  1.0 3.0
   44    38    42    43   0.35600  1.0 1.0
   44    38    42    43  -0.14650 -1.0 2.0
   44    38    42    43   0.33350  1.0 3.0
   44    38    42    52   0.56750  1.0 1.0
   44    38    42    52  -0.07550 -1.0 2.0
   44    38    42    52   0.20000  1.0 3.0
   44    38    42    55   0.56750  1.0 1.0
   44    38    42    55  -0.07550 -1.0 2.0
   44    38    42    55   0.20000  1.0 3.0
   44    38    48    49   0.15000  1.0 3.0
   44    38    48    50   0.15000  1.0 3.0
   44    38    48    51   0.15000  1.0 3.0
   48    38    42    43   0.35600  1.0 1.0
   48    38    42    43  -0.14650 -1.0 2.0
   48    38    42    43   0.33350  1.0 3.0
   48    38    42    52   0.56750  1.0 1.0
   48    38    42    52  -0.07550 -1.0 2.0
   48    38    42    52   0.20000  1.0 3.0
   48    38    42    55   0.56750  1.0 1.0
   48    38    42    55  -0.07550 -1.0 2.0
   48    38    42    55   0.20000  1.0 3.0
   48    38    44    45   0.15000  1.0 3.0
   48    38    44    46   0.15000  1.0 3.0
   48    38    44    47   0.15000  1.0 3.0
   39    37    38    42   0.09850  1.0 1.0
   39    37    38    42   0.15250 -1.0 2.0
   39    37    38    42  -0.50650  1.0 3.0
   39    37    38    44   0.09850  1.0 1.0
   39    37    38    44   0.15250 -1.0 2.0
   39    37    38    44  -0.50650  1.0 3.0
   39    37    38    48   0.09850  1.0 1.0
   39    37    38    48   0.15250 -1.0 2.0
   39    37    38    48  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    39   1.10000 -1.0 2.0
   40    41    39    37   1.10000 -1.0 2.0
END
