* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    132    219     398
    1     0 S   NP   _N1_     1    29.62723    93.62975   -16.77563
    2     1 S   H    _HN1     2     1.02960   113.17941    58.37078
    3     1 S   H    _H1_     3     1.02812    28.45005   141.43098
    4     1 S   H    _H2_     4     1.02779    79.94870   -47.30816
    5     1 S   CT   _CA1     5     1.50343   127.76184  -157.77913
    6     5 S   HC   _HA1     6     1.09587   105.01075    33.21345
    7     5 S   CO3  _C1_     7     1.53843   112.56976   -86.16405
    8     7 S   O2Z  _O11     8     1.26432   115.18965   -32.47575
    9     7 S   O2Z  _O12     9     1.26267   114.96319   146.23344
   10     5 S   CT   _CB1    10     1.53049   106.99990   150.64054
   11    10 S   HC   HB11    11     1.09785   108.81126   -50.03076
   12    10 S   HC   HB12    12     1.09627   110.02400    65.94907
   13    10 S   CT   _CG1    13     1.53064   113.55249  -171.88117
   14    13 S   HC   HG11    14     1.09452   110.18914   -68.95927
   15    13 S   HC   HG12    15     1.09633   110.28729    49.94675
   16    13 S   C    _CD1    16     1.52025   112.00240   169.04656
   17    16 S   O    _OE1    17     1.22821   122.72631   -25.71652
   18    16 S   N    _N2_    18     1.38621   112.50045   156.49102
   19    18 S   H    _HN2    19     1.01611   118.94563    -2.49473
   20    18 S   CT1  _CA2    20     1.46395   123.40259   177.15614
   21    20 S   HC   _HA2    21     1.09771   108.78643   -23.20160
   22    20 S   C    _C2_    22     1.53467   107.94237  -138.33475
   23    22 S   O    _O2_    23     1.23000   122.37637  -145.28267
   24    20 S   CT   _CB2    32     1.53736   112.72456    99.10119
   25    24 S   HC   HB21    33     1.09453   110.79320    57.57508
   26    24 S   HC   HB22    34     1.09569   109.89599   174.98796
   27    22 S   N    _N3_    24     1.38554   113.23931    42.02499
   28    27 S   H    _HN3    25     1.01543   118.92428    -0.36637
   29    24 S   S    _SG2    35     1.82723   111.98518   -67.23448
   30    27 S   CT   _CA3    26     1.45435   123.35515   175.10347
   31    30 S   HC   HA31    27     1.09531   109.09709    26.78199
   32    30 S   HC   HA32    28     1.09490   107.14855   143.78443
   33    29 S   CT   _C10    36     1.84003   101.35689   128.34933
   34    33 S   HC   _H7_    37     1.09530   106.56428    62.29931
   35    30 S   CO3  _C3_    29     1.52940   113.25264   -96.58326
   36    35 S   O2Z  _O31    30     1.26393   115.49481   -42.12740
   37    35 S   O2Z  _O32    31     1.26366   114.91885   138.81684
   38    33 S   CT   _C11    38     1.54011   114.02297   -59.75453
   39    38 S   HC   _H11    39     1.09157   114.37229    26.52146
   40    38 S   HC   _H12    40     1.09688   109.28881   147.28790
   41    33 S   CT   _C9_    50     1.55242   112.44614  -175.26095
   42    38 S   NE   _N8_    41     1.46112   105.72191   -96.19145
   43    41 S   OH   _O33    51     1.43171   109.26556  -159.03559
   44    43 S   HO   _H13    52     0.97175   107.84035    47.79057
   45    41 S   OH   _O34    53     1.41676   114.98398   -37.13228
   46    45 S   HO   _H14    54     0.97184   107.81020   -25.19913
   47    42 S   CDX  _C7_    42     1.37615   123.50174  -179.33707
   48    47 S   NE   _N6_    43     1.37522   114.52121   156.13566
   49    48 S   H    _H9_    44     1.01635   118.31373   176.27007
   50    47 S   NI   _N7_    71     1.30147   123.29315   -21.93385
   51    50 S   H    _H6_    72     1.02596   108.59887  -179.66839
   52    48 S   CT   _C6_    45     1.46017   122.87102   -22.50116
   53    52 S   HC   _H5_    46     1.09759   107.38999   168.30823
   54    52 S   CT   _C5_    47     1.53491   110.49879    48.23508
   55    54 S   HC   _H4_    48     1.09554   111.18728  -161.01301
   56    52 S   CT   _C12    62     1.53600   109.35932   -74.84682
   57    56 S   HC   _H15    63     1.09627   109.98559   175.25814
   58    56 S   HC   _H16    64     1.09606   111.62025    53.83694
   59    42 S   CT   _C8_    49     1.46027   111.90217    -3.20479
   60    56 S   OS   _O35    65     1.44054   108.53162   -66.49319
   61    59 S   NE   _N9_    55     1.46296   110.60285    98.92471
   62    61 S   H    _H10    56     1.01317   121.78009   -57.62496
   63    60 S   CO4  _C13    66     1.36145   115.66089   177.94843
   64    63 S   O    _O36    67     1.22516   125.51205     0.69464
   65    61 S   CDX  _C4_    57     1.36948   114.70580   120.05409
   66    63 S   N    _N10    68     1.36854   110.24578  -179.35441
   67    66 S   H    _H17    69     1.01325   121.01078   179.93744
   68    66 S   H    _H18    70     1.01327   121.07876     0.20842
   69    54 S   NE   _N5_    58     1.46697   109.11199    81.38596
   70    69 S   H    _H8_    59     1.01246   121.84083    58.15373
   71    65 S   NI   _N4_    60     1.28966   126.81451  -178.46481
   72    71 S   H    _H3_    61     1.02473   108.58857  -179.87805
  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
