* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    132    219     398
    1     0 S   NP   _N1_     1    28.68836    93.44275   -24.27034
    2     1 S   H    _HN1     2     1.02964    86.34298    35.82875
    3     1 S   H    _H1_     3     1.02837    22.02418  -163.90920
    4     1 S   H    _H2_     4     1.02778   108.70381   -72.28017
    5     1 S   CT   _CA1     5     1.50107   126.95311   148.71915
    6     5 S   HC   _HA1     6     1.09576   105.25730    76.28607
    7     5 S   CO3  _C1_     7     1.53772   112.34560   -43.94428
    8     7 S   O2Z  _O11     8     1.26350   114.99567   -45.46076
    9     7 S   O2Z  _O12     9     1.26236   114.89912   133.75751
   10     5 S   CT   _CB1    10     1.53094   107.43382  -165.84291
   11    10 S   HC   HB11    11     1.09824   109.30575   -51.48855
   12    10 S   HC   HB12    12     1.09822   110.42609    65.03496
   13    10 S   CT   _CG1    13     1.53016   112.68452  -172.63446
   14    13 S   HC   HG11    14     1.09600   110.39970   -63.35379
   15    13 S   HC   HG12    15     1.09646   110.04208    55.87575
   16    13 S   C    _CD1    16     1.51805   112.28360   176.18258
   17    16 S   O    _OE1    17     1.22728   123.25010    -4.40496
   18    16 S   N    _N2_    18     1.38644   111.67539   175.86379
   19    18 S   H    _HN2    19     1.01594   119.02671     1.01375
   20    18 S   CT1  _CA2    20     1.46178   123.30887  -179.77358
   21    20 S   HC   _HA2    21     1.09738   109.33893   -11.16571
   22    20 S   C    _C2_    22     1.53435   108.36933  -126.78396
   23    22 S   O    _O2_    23     1.23018   122.19650  -145.72462
   24    20 S   CT   _CB2    32     1.53448   111.64488   110.87083
   25    24 S   HC   HB21    33     1.09505   109.90628    56.47625
   26    24 S   HC   HB22    34     1.09525   110.10700   175.28728
   27    22 S   N    _N3_    24     1.38491   113.39920    41.61449
   28    27 S   H    _HN3    25     1.01522   118.94302    -0.54176
   29    24 S   S    _SG2    35     1.82787   111.84558   -65.03223
   30    27 S   CT   _CA3    26     1.45465   123.47220   175.04081
   31    30 S   HC   HA31    27     1.09522   109.24233    23.90532
   32    30 S   HC   HA32    28     1.09494   107.10454   140.93328
   33    29 S   CT   _C10    36     1.83758    99.58479   179.78878
   34    33 S   HC   _H7_    37     1.09539   106.92371    46.19392
   35    30 S   CO3  _C3_    29     1.52941   113.17851   -99.56458
   36    35 S   O2Z  _O31    30     1.26398   115.45232   -42.38801
   37    35 S   O2Z  _O32    31     1.26362   114.94344   138.54437
   38    33 S   CT   _C11    38     1.54083   112.29087   -75.08853
   39    38 S   HC   _H11    39     1.09395   113.38696    23.29323
   40    38 S   HC   _H12    40     1.09656   109.45790   144.04767
   41    33 S   CT   _C9_    50     1.54656   113.45590   168.94702
   42    38 S   NE   _N8_    41     1.46552   105.89059   -99.14389
   43    41 S   OH   _O33    51     1.43118   109.17866  -158.20784
   44    43 S   HO   _H13    52     0.97179   107.91581    48.57348
   45    41 S   OH   _O34    53     1.41702   114.82371   -36.49580
   46    45 S   HO   _H14    54     0.97186   107.86428   -26.06723
   47    42 S   CDX  _C7_    42     1.38030   124.32466  -175.54482
   48    47 S   NE   _N6_    43     1.37523   114.78034   152.54236
   49    48 S   H    _H9_    44     1.01577   117.31066   179.75611
   50    47 S   NI   _N7_    71     1.30202   124.98219   -25.50555
   51    50 S   H    _H6_    72     1.02271   109.43774    -1.87043
   52    48 S   CT   _C6_    45     1.45702   123.79118   -18.74079
   53    52 S   HC   _H5_    46     1.09759   107.42967   166.06811
   54    52 S   CT   _C5_    47     1.53178   110.30370    46.24688
   55    54 S   HC   _H4_    48     1.09581   111.04865  -162.68130
   56    52 S   CT   _C12    62     1.53551   109.28305   -77.05115
   57    56 S   HC   _H15    63     1.09621   110.04728   174.01830
   58    56 S   HC   _H16    64     1.09595   111.60437    52.42792
   59    42 S   CT   _C8_    49     1.46419   111.42389    -1.27580
   60    56 S   OS   _O35    65     1.44087   108.52696   -67.74418
   61    59 S   NE   _N9_    55     1.46385   110.29598    98.25203
   62    61 S   H    _H10    56     1.01232   121.34402   -59.30529
   63    60 S   CO4  _C13    66     1.36159   115.63524   177.85278
   64    63 S   O    _O36    67     1.22518   125.50501     0.51358
   65    61 S   CDX  _C4_    57     1.37031   114.46588   118.21571
   66    63 S   N    _N10    68     1.36857   110.26074  -179.53733
   67    66 S   H    _H17    69     1.01331   121.00344   179.97202
   68    66 S   H    _H18    70     1.01325   121.08965     0.14265
   69    54 S   NE   _N5_    58     1.46511   109.62922    79.72584
   70    69 S   H    _H8_    59     1.01249   122.44246    56.79924
   71    65 S   NI   _N4_    60     1.28945   127.13704  -178.54142
   72    71 S   H    _H3_    61     1.02502   108.62592     0.19180
  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  10   5   4   3
  14   8   2   1   1  12   5   4  14  15   6   2   4   1  10  13
   5   3   1  13   8  12   6   8   3   2   6   5   6   3   4   3
   4   2   1   1   3   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    59    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    54    59    41    43    44    45    46    61  
   38    39    40    42    59    41    43    45  
   36    37  
   37  
    0  
   39    40    42    47    48    54    59    41    43    45    61    50  
   40    42    47    59    41  
   42    47    59    41  
   43    44    45    46    61    62    65    69    42    47    52    54    55    59  
   47    48    49    52    54    55    59    43    45    61    62    65    69    50    51  
   44    45    46    61    54    59  
   45    59  
   46    61    54    59  
   59  
   48    49    52    53    54    59    61    56    50    51  
   49    52    53    54    55    59    69    56    57    58    60    50    51  
   52    53    54    56    50  
   51    52    59  
    0  
   53    54    55    59    61    65    69    70    56    57    58    60    63  
   54    55    59    69    56    57    58    60  
   55    59    61    62    65    69    70    71    56    57    58    60  
   59    61    65    69    70    56  
   57    58    60    63    64    66    59    69  
   58    60    63  
   60    63  
   61    62    65    69    70    71  
   63    64    66    67    68  
   62    65    69    70    71    72  
   65    69    71  
   64    66    67    68  
   66    67    68  
   69    70    71    72  
   67    68  
   68  
    0  
   70    71    72  
   71  
   72  
    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   0.177500   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   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.2500   0.1700  -0.413000   2.1120   1.8750   0.051222218  -2.220205820
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   49   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   51   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.190000   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   3.5000   0.0660   0.368000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   62   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   65   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   66   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   70   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   72   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   382.000  1.448
   42    47   445.000  1.380
   42    59   382.000  1.448
   47    48   445.000  1.380
   47    50   650.000  1.285
   48    49   434.000  1.010
   48    52   382.000  1.448
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    69   382.000  1.448
   59    41   268.000  1.529
   59    61   382.000  1.448
   41    43   320.000  1.410
   41    45   320.000  1.410
   43    44   553.000  0.945
   45    46   553.000  0.945
   61    62   434.000  1.010
   61    65   445.000  1.380
   65    69   445.000  1.380
   65    71   650.000  1.285
   69    70   434.000  1.010
   71    72   434.000  1.010
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   320.000  1.410
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    66   435.000  1.380
   66    67   434.000  1.010
   66    68   434.000  1.010
   50    51   434.000  1.010
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    80.00000  111.61500
   33    41    59    58.35000  112.70000
   33    41    43    50.00000  109.50000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    50.00000  119.50000
   38    42    59    50.00000  115.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    85.00000  116.27000
   42    47    50    75.00000  124.36500
   42    59    54    80.00000  111.61500
   42    59    41    80.00000  111.61500
   42    59    61    90.00000  107.82800
   47    48    49    35.00000  119.50000
   47    48    52    50.00000  119.50000
   47    50    51    55.00000  110.29700
   48    52    53    35.00000  109.50000
   48    52    54    80.00000  111.61500
   48    52    56    80.00000  111.61500
   52    48    49    35.00000  112.50000
   52    54    55    37.50000  110.70000
   52    54    59    58.35000  112.70000
   52    54    69    80.00000  111.61500
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    60    50.00000  109.50000
   54    52    53    37.50000  110.70000
   54    59    41    58.35000  112.70000
   54    59    61    80.00000  111.61500
   54    69    65    50.00000  119.50000
   54    69    70    35.00000  112.50000
   59    42    47    50.00000  119.50000
   59    54    55    37.50000  110.70000
   59    41    43    50.00000  109.50000
   59    41    45    50.00000  109.50000
   59    61    62    35.00000  112.50000
   59    61    65    50.00000  119.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    55.00000  108.50000
   41    45    46    55.00000  108.50000
   45    41    43   115.00000  113.08500
   61    59    41    80.00000  111.61500
   61    65    69    85.00000  116.27000
   61    65    71    75.00000  124.36500
   65    61    62    35.00000  119.50000
   65    69    70    35.00000  119.50000
   65    71    72    55.00000  110.29700
   69    54    55    35.00000  109.50000
   69    54    59    80.00000  111.61500
   71    65    69    75.00000  124.36500
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    60    63    83.00000  116.90000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    66   110.00000  108.75700
   63    66    67    50.00000  116.34900
   63    66    68    50.00000  116.34900
   66    63    64    85.00000  125.96000
   68    66    67    35.00000  120.00000
   50    47    48    75.00000  124.36500
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    59   0.44750  1.0 1.0
   29    33    41    59  -0.17800 -1.0 2.0
   29    33    41    59   0.20200  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    42    47   0.38950  1.0 1.0
   33    38    42    47  -0.47050 -1.0 2.0
   33    38    42    47   0.83150  1.0 3.0
   33    38   -42    59   0.00000  1.0 1.0
   33    41    43    44  -0.11600  1.0 1.0
   33    41    43    44  -0.09450 -1.0 2.0
   33    41    43    44   0.21250  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.22950  1.0 3.0
   34    33    41    59   0.15000  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    59   0.56750  1.0 1.0
   38    33   -41    59  -0.07550 -1.0 2.0
   38    33   -41    59   0.20000  1.0 3.0
   38    33    41    43   0.86500  1.0 1.0
   38    33    41    43  -0.17500 -1.0 2.0
   38    33    41    43   0.20800  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    42    47    48   1.17450  1.0 1.0
   38    42    47    48   0.83550 -1.0 2.0
   38    42    47    50  -0.86000  1.0 1.0
   38    42    47    50   0.84650 -1.0 2.0
   38    42    59    54   0.00000  1.0 1.0
   38    42   -59    41   0.00000  1.0 1.0
   38    42    59    61   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    59   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    59   0.00000  1.0 1.0
   42    47    48    49   1.00000 -1.0 2.0
   42    47    48    52   1.17450  1.0 1.0
   42    47    48    52   0.83550 -1.0 2.0
   42    47    50    51  -1.91600  1.0 1.0
   42    47    50    51   8.35800 -1.0 2.0
   42    59   -41    33   1.26750  1.0 1.0
   42    59   -41    33  -0.00950 -1.0 2.0
   42    59   -41    33   0.30600  1.0 3.0
   42    59    41    43   4.07950  1.0 1.0
   42    59    41    43  -0.26450 -1.0 2.0
   42    59    41    43  -0.12150  1.0 3.0
   42    59    41    45   4.07950  1.0 1.0
   42    59    41    45  -0.26450 -1.0 2.0
   42    59    41    45  -0.12150  1.0 3.0
   42    59    61    62  -0.12500  1.0 1.0
   42    59    61    62  -0.12500 -1.0 2.0
   42    59    61    62   0.25000  1.0 3.0
   42    59    61    65  -0.12500  1.0 1.0
   42    59    61    65  -0.12500 -1.0 2.0
   42    59    61    65   0.25000  1.0 3.0
   47    42    59    54   0.38950  1.0 1.0
   47    42    59    54  -0.47050 -1.0 2.0
   47    42    59    54   0.83150  1.0 3.0
   47    42    59    41   0.38950  1.0 1.0
   47    42    59    41  -0.47050 -1.0 2.0
   47    42    59    41   0.83150  1.0 3.0
   47    42    59    61  -0.12500  1.0 1.0
   47    42    59    61  -0.12500 -1.0 2.0
   47    42    59    61   0.25000  1.0 3.0
   47    48    52    53   0.00000  1.0 1.0
   47    48   -52    54   0.38950  1.0 1.0
   47    48   -52    54  -0.47050 -1.0 2.0
   47    48   -52    54   0.83150  1.0 3.0
   47    48    52    56   0.38950  1.0 1.0
   47    48    52    56  -0.47050 -1.0 2.0
   47    48    52    56   0.83150  1.0 3.0
   48    47    50    51  -1.91600  1.0 1.0
   48    47    50    51   8.35800 -1.0 2.0
   48    52    54    55   0.22950  1.0 3.0
   48    52    54    59   1.26750  1.0 1.0
   48    52    54    59  -0.00950 -1.0 2.0
   48    52    54    59   0.30600  1.0 3.0
   48    52    54    69   2.20050  1.0 1.0
   48    52    54    69   0.63450 -1.0 2.0
   48    52    54    69  -0.91300  1.0 3.0
   48    52    56    57   0.22950  1.0 3.0
   48    52    56    58   0.22950  1.0 3.0
   48    52    56    60   2.03850  1.0 1.0
   48    52    56    60  -0.40600 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   52    54   -59    42   1.26750  1.0 1.0
   52    54   -59    42  -0.00950 -1.0 2.0
   52    54   -59    42   0.30600  1.0 3.0
   52    54    59    41   0.56750  1.0 1.0
   52    54    59    41  -0.07550 -1.0 2.0
   52    54    59    41   0.20000  1.0 3.0
   52    54    59    61   1.26750  1.0 1.0
   52    54    59    61  -0.00950 -1.0 2.0
   52    54    59    61   0.30600  1.0 3.0
   52    54    69    65   0.38950  1.0 1.0
   52    54    69    65  -0.47050 -1.0 2.0
   52    54    69    65   0.83150  1.0 3.0
   52    54    69    70   0.00000  1.0 1.0
   52    56    60    63  -0.25900  1.0 1.0
   52    56    60    63  -0.47000 -1.0 2.0
   52    56    60    63   0.11750  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    54    69   0.22950  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    60   0.23400  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    58   0.15000  1.0 3.0
   54    52    56    60   0.62750  1.0 1.0
   54    52    56    60  -0.30950 -1.0 2.0
   54    52    56    60   0.27300  1.0 3.0
   54    59    41    33   0.56750  1.0 1.0
   54    59    41    33  -0.07550 -1.0 2.0
   54    59    41    33   0.20000  1.0 3.0
   54    59    41    43   0.86500  1.0 1.0
   54    59    41    43  -0.17500 -1.0 2.0
   54    59    41    43   0.20800  1.0 3.0
   54    59    41    45   0.86500  1.0 1.0
   54    59    41    45  -0.17500 -1.0 2.0
   54    59    41    45   0.20800  1.0 3.0
   54    59    61    62   0.00000  1.0 1.0
   54    59   -61    65   0.38950  1.0 1.0
   54    59   -61    65  -0.47050 -1.0 2.0
   54    59   -61    65   0.83150  1.0 3.0
   55    54    59    42   0.22950  1.0 3.0
   55    54    59    41   0.15000  1.0 3.0
   55    54    59    61   0.22950  1.0 3.0
   55    54    69    65   0.00000  1.0 1.0
   55    54    69    70   0.00000  1.0 1.0
   59    42   -47    48   1.17450  1.0 1.0
   59    42   -47    48   0.83550 -1.0 2.0
   59    42    47    50  -0.86000  1.0 1.0
   59    42    47    50   0.84650 -1.0 2.0
   59    54   -69    65   0.38950  1.0 1.0
   59    54   -69    65  -0.47050 -1.0 2.0
   59    54   -69    65   0.83150  1.0 3.0
   59    54    69    70   0.00000  1.0 1.0
   59    41    43    44  -0.11600  1.0 1.0
   59    41    43    44  -0.09450 -1.0 2.0
   59    41    43    44   0.21250  1.0 3.0
   59    41    45    46  -0.11600  1.0 1.0
   59    41    45    46  -0.09450 -1.0 2.0
   59    41    45    46   0.21250  1.0 3.0
   59    61   -65    69   1.17450  1.0 1.0
   59    61   -65    69   0.83550 -1.0 2.0
   59    61    65    71  -0.86000  1.0 1.0
   59    61    65    71   0.84650 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   1.26750  1.0 1.0
   41    33   -38    42  -0.00950 -1.0 2.0
   41    33   -38    42   0.30600  1.0 3.0
   41    59    61    62   0.00000  1.0 1.0
   41    59    61    65   0.38950  1.0 1.0
   41    59    61    65  -0.47050 -1.0 2.0
   41    59    61    65   0.83150  1.0 3.0
   43    41    45    46   0.13450  1.0 1.0
   43    41    45    46  -0.58300 -1.0 2.0
   43    41    45    46   0.14300  1.0 3.0
   45    41    43    44   0.13450  1.0 1.0
   45    41    43    44  -0.58300 -1.0 2.0
   45    41    43    44   0.14300  1.0 3.0
   61    59    41    33   1.26750  1.0 1.0
   61    59    41    33  -0.00950 -1.0 2.0
   61    59    41    33   0.30600  1.0 3.0
   61    59    41    43   4.07950  1.0 1.0
   61    59    41    43  -0.26450 -1.0 2.0
   61    59    41    43  -0.12150  1.0 3.0
   61    59    41    45   4.07950  1.0 1.0
   61    59    41    45  -0.26450 -1.0 2.0
   61    59    41    45  -0.12150  1.0 3.0
   61    65   -69    54   1.17450  1.0 1.0
   61    65   -69    54   0.83550 -1.0 2.0
   61    65    69    70   1.00000 -1.0 2.0
   61    65    71    72  -1.91600  1.0 1.0
   61    65    71    72   8.35800 -1.0 2.0
   62    61    65    69   1.00000 -1.0 2.0
   62    61    65    71   1.50000 -1.0 2.0
   69    54    59    42   2.20050  1.0 1.0
   69    54    59    42   0.63450 -1.0 2.0
   69    54    59    42  -0.91300  1.0 3.0
   69    54    59    41   1.26750  1.0 1.0
   69    54    59    41  -0.00950 -1.0 2.0
   69    54    59    41   0.30600  1.0 3.0
   69    54   -59    61   2.20050  1.0 1.0
   69    54   -59    61   0.63450 -1.0 2.0
   69    54   -59    61  -0.91300  1.0 3.0
   69    65    71    72  -1.91600  1.0 1.0
   69    65    71    72   8.35800 -1.0 2.0
   71    65    69    54  -0.86000  1.0 1.0
   71    65    69    54   0.84650 -1.0 2.0
   71    65    69    70   1.50000 -1.0 2.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    59   0.56750  1.0 1.0
   56    52    54    59  -0.07550 -1.0 2.0
   56    52    54    59   0.20000  1.0 3.0
   56    52    54    69   1.26750  1.0 1.0
   56    52    54    69  -0.00950 -1.0 2.0
   56    52    54    69   0.30600  1.0 3.0
   56    60    63    64   3.00000 -1.0 2.0
   56    60    63    66  -0.80800  1.0 1.0
   56    60    63    66   2.06850 -1.0 2.0
   57    56    60    63   0.08050  1.0 3.0
   58    56    60    63   0.08050  1.0 3.0
   60    63    66    67   2.56700 -1.0 2.0
   60    63    66    68   2.56700 -1.0 2.0
   64    63    66    67   2.45000 -1.0 2.0
   64    63    66    68   2.45000 -1.0 2.0
   50    47    48    49   1.50000 -1.0 2.0
   50    47    48    52  -0.86000  1.0 1.0
   50    47    48    52   0.84650 -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
   59    47    42    38   1.00000 -1.0 2.0
   42    48    47    50  10.50000 -1.0 2.0
   49    47    48    52   1.00000 -1.0 2.0
   62    65    61    59   1.00000 -1.0 2.0
   61    69    65    71  10.50000 -1.0 2.0
   70    65    69    54   1.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
END
