* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    148    234     423
    1     0 S   NP   _N1_     1    28.69964    95.24304   -20.56271
    2     1 S   H    _HN1     2     1.02840    34.48978   158.95312
    3     1 S   H    _H1_     3     1.02781    84.63800   -68.12136
    4     1 S   H    _H2_     4     1.02963    91.42290    40.16194
    5     1 S   CT   _CA1     5     1.50128   144.86585   170.04493
    6     5 S   HC   _HA1     6     1.09571   105.24824    52.51759
    7     5 S   CO3  _C1_     7     1.53817   112.33281   -67.73114
    8     7 S   O2Z  _O11     8     1.26355   115.01153   -43.94588
    9     7 S   O2Z  _O12     9     1.26233   114.92885   135.18964
   10     5 S   CT   _CB1    10     1.53085   107.42123   170.46556
   11    10 S   HC   HB11    11     1.09817   109.39073   -50.02546
   12    10 S   HC   HB12    12     1.09826   110.39520    66.53110
   13    10 S   CT   _CG1    13     1.53009   112.67220  -171.16022
   14    13 S   HC   HG11    14     1.09534   110.40017   -60.53959
   15    13 S   HC   HG12    15     1.09633   110.14221    58.50365
   16    13 S   C    _CD1    16     1.51817   112.09666   178.46660
   17    16 S   O    _OE1    17     1.22739   123.10608   -14.61133
   18    16 S   N    _N2_    18     1.38554   111.78881   166.49965
   19    18 S   H    _HN2    19     1.01598   119.06899    -0.22468
   20    18 S   CT1  _CA2    20     1.46228   123.46693  -179.85735
   21    20 S   HC   _HA2    21     1.09734   109.38699   -13.70573
   22    20 S   C    _C2_    22     1.53463   108.30223  -129.33264
   23    22 S   O    _O2_    23     1.23018   122.27382  -146.37233
   24    20 S   CT   _CB2    32     1.53401   111.32287   108.55159
   25    24 S   HC   HB21    33     1.09384   109.44154    54.55454
   26    24 S   HC   HB22    34     1.09427   110.21094   172.92526
   27    22 S   N    _N3_    24     1.38518   113.36001    41.06002
   28    27 S   H    _HN3    25     1.01528   118.90232    -0.70942
   29    24 S   S    _SG2    35     1.82919   111.54476   -68.37578
   30    27 S   CT   _CA3    26     1.45457   123.51245   175.19360
   31    30 S   HC   HA31    27     1.09521   109.30868    22.76870
   32    30 S   HC   HA32    28     1.09500   107.09342   139.77528
   33    29 S   CT   _C7_    36     1.88148   101.38494   152.90009
   34    30 S   CO3  _C3_    29     1.52926   113.10713  -100.77053
   35    34 S   O2Z  _O31    30     1.26410   115.41144   -44.34742
   36    34 S   O2Z  _O32    31     1.26359   114.98577   136.60932
   37    33 S   CM   _C8_    37     1.50836   108.08940   157.15921
   38    37 S   CMA  _C9_    38     1.35309   128.15651   107.33662
   39    38 S   OM   _O34    39     1.26207   130.16526   177.47392
   40    37 S   CT   _C10    51     1.53266   103.90036   -78.59195
   41    40 S   HC   _H5_    52     1.10104   105.41401    76.92035
   42    38 S   CD   _C4_    40     1.52429   116.03092    -1.08462
   43    40 S   CO   _C11    53     1.55569   101.88900   -36.15518
   44    40 S   CT   _C16    69     1.53663   122.17777  -164.22704
   45    44 S   HC   _H14    70     1.09678   109.62565   164.63329
   46    44 S   HC   _H15    71     1.09476   112.33284    43.57538
   47    42 S   CT   _C5_    41     1.51805   121.11127    -5.80839
   48    47 S   HC   _H4_    42     1.09948   106.42605   138.35896
   49    42 S   NI   _N4_    49     1.30257   121.63270   174.61271
   50    49 S   H    _H3_    50     1.02412   111.13478   179.65113
   51    43 S   C3T  _C14    54     1.50625   113.99985   -98.44318
   52    51 S   HC   _H7_    55     1.07931   116.33781   -99.85837
   53    43 S   OS   _O35    64     1.44318   106.02570   140.16579
   54    44 S   OS   _O36    72     1.44060   108.95652   -78.25080
   55    33 S   CO4  _C6_    43     1.52171   104.25475   -80.47810
   56    55 S   O    _O33    44     1.23509   122.60324    80.91787
   57    47 S   CT   _C18    45     1.52600   110.02357  -104.33526
   58    57 S   HC   _H18    46     1.09492   111.72665    54.89218
   59    57 S   HC   _H19    47     1.09541   110.85227   -64.33504
   60    57 S   HC   _H20    48     1.09424   111.23869   175.72231
   61    51 S   C3T  _C13    56     1.47362   107.65599   120.75623
   62    61 S   HC   _H6_    57     1.07799   120.64756   133.42254
   63    53 S   CT   _C15    65     1.42192   116.00503  -171.43604
   64    63 S   HC   _H11    66     1.09368   107.85115   179.44822
   65    63 S   HC   _H12    67     1.09294   111.42863    61.15394
   66    63 S   HC   _H13    68     1.09312   111.38077   -62.26037
   67    54 S   CO4  _C17    73     1.36066   115.84024   178.66162
   68    67 S   O    _O37    74     1.22537   125.64120     2.02989
   69    61 S   CT   _C12    58     1.48807   109.24588    -5.68958
   70    69 S   HC   _H8_    59     1.09501   110.19134   124.36474
   71    69 S   HC   _H9_    60     1.09443   108.14038  -117.87833
   72    51 S   NTH  _N6_    62     1.46391   124.09697    56.40735
   73    72 S   H    _H10    63     1.01997   110.96427   -12.12068
   74    67 S   N    _N7_    75     1.36874   110.16705  -178.17920
   75    74 S   H    _H16    76     1.01283   121.09053   179.73905
   76    74 S   H    _H17    77     1.01327   120.78542     1.03098
   77    33 S   NTH0 _N5_    61     1.48475   111.48269    42.96702
  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
  20   2   1   1  18  13   4  17   8  10  20   9   3   2  10   7
   3   1  11   7   8   5   7   2   3   2   1   1   7   6   4   2
   1   1   4   3   5   3   2   2   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    77    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    55    56    40    43    69    77  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    47    48    55    56    57    40    41    43    51    61    69    70    71    77    53    44  
   35    36  
   36  
    0  
   38    39    42    47    55    56    49    40    41    43    51    69    77    53    44    45    46    54  
   39    42    47    48    55    57    49    50    40    41    43    77    44  
   42    47    49    40  
   41    43    51    52    61    69    77    72    53    63    44    45    46    54    67    42    55  
   43    51    77    53    44    45    46    54  
   47    48    55    56    57    58    59    60    49    50  
   51    52    61    62    69    70    71    77    72    73    53    63    64    65    66    44    45    46    54    55  
   45    46    54    67    68    74    51    53    77  
   46    54    67  
   54    67  
   48    55    56    57    58    59    60    49    50    77  
   55    56    57    58    59    60    49  
   50    55    57  
    0  
   52    61    62    69    70    71    77    72    73    53    63  
   61    62    69    77    72    73    53  
   63    64    65    66    61    69    72    77  
   67    68    74    75    76  
   56    57    58    59    60    69    77  
   57    77  
   58    59    60  
   59    60  
   60  
    0  
   62    69    70    71    77    72    73  
   69    70    71    77    72    73  
   64    65    66    77  
   65    66  
   66  
    0  
   68    74    75    76  
   74    75    76  
   70    71    77    72    73  
   71    77    72  
   77    72  
   73    77  
    0  
   75    76  
   76  
    0  
    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   0.377500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   50   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
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    55   317.000  1.522
   33    77   310.000  1.447
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   320.000  1.464
   42    47   270.000  1.508
   42    49   500.000  1.261
   47    48   340.000  1.090
   47    55   317.000  1.522
   47    57   268.000  1.529
   55    56   570.000  1.229
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   434.000  1.010
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    44   268.000  1.529
   43    51   275.000  1.510
   43    77   310.000  1.447
   43    53   320.000  1.380
   51    52   340.000  1.088
   51    61   260.000  1.509
   51    72   315.000  1.448
   61    62   340.000  1.088
   61    69   275.000  1.510
   61    72   315.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   310.000  1.447
   72    73   500.000  1.015
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    54   320.000  1.410
   54    67   214.000  1.327
   67    68   570.000  1.229
   67    74   435.000  1.380
   74    75   434.000  1.010
   74    76   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    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    55    75.00000  110.18000
   29    33    77    85.00000  109.00000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    55    47    70.00000  116.00000
   33    55    56    80.00000  120.40000
   33    77    43    80.00000  110.40700
   33    77    69    80.00000  110.40700
   37    38    39    65.00000  137.10300
   37    38    42    60.00000  120.31500
   37    40    41    35.00000  109.50000
   37    40    43    70.00000  112.02700
   37    40    44    70.00000  112.02700
   38    42    47    65.00000  117.24000
   38    42    49    70.00000  121.86000
   42    38    39    65.00000  137.10300
   42    47    48    45.00000  109.49600
   42    47    55    70.00000  109.29000
   42    47    57    70.00000  111.76100
   42    49    50    35.00000  113.00000
   47    55    56    80.00000  120.40000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    60    37.50000  110.70000
   55    33    37    70.00000  109.06800
   55    47    48    35.00000  109.50000
   57    47    48    37.50000  110.70000
   57    47    55    63.00000  111.10000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    42    47    65.00000  122.10100
   40    37    38    70.00000  124.00000
   40    43    51    65.00000  112.71400
   40    43    77    75.00000  113.73300
   40    43    53    90.00000  108.56700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    54    50.00000  109.50000
   43    40    41    45.00000  108.72000
   43    51    52    40.00000  115.04500
   43    51    61    60.00000  120.94000
   43    51    72    80.00000  104.84000
   43    77    69    80.00000  110.40700
   43    53    63    60.00000  109.50000
   51    61    62    37.50000  117.20000
   51    61    69    60.00000  120.94000
   51    61    72    30.00000   60.00000
   51    72    61    10.00000   60.00000
   51    72    73    50.00000  109.23200
   61    51    52    37.50000  117.20000
   61    69    70    45.00000  109.38400
   61    69    71    45.00000  109.38400
   61    69    77    75.00000  113.73300
   61    72    73    50.00000  109.23200
   69    61    62    40.00000  115.04500
   71    69    70    33.00000  107.80000
   77    33    37    75.00000  110.70900
   77    33    55    75.00000  112.82000
   77    43    51    75.00000  113.73300
   77    69    70    50.00000  110.15500
   77    69    71    50.00000  110.15500
   72    51    52    50.00000  110.59500
   72    51    61    30.00000   60.00000
   72    61    62    50.00000  110.59500
   72    61    69    80.00000  111.29100
   53    43    51    90.00000  108.56700
   53    43    77   100.00000  112.06800
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    43    75.00000  109.43000
   44    54    67    83.00000  116.90000
   46    44    45    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    46    35.00000  109.50000
   54    67    68    83.00000  123.40000
   54    67    74   110.00000  108.75700
   67    74    75    50.00000  116.34900
   67    74    76    50.00000  116.34900
   74    67    68    85.00000  125.96000
   76    74    75    35.00000  120.00000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    77   0.01700  1.0 1.0
   24    29    33    77  -0.23550 -1.0 2.0
   24    29    33    77   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    55    47   0.65300  1.0 1.0
   29    33    55    47  -0.03850 -1.0 2.0
   29    33    55    47   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   29    33    77    43   0.23200  1.0 1.0
   29    33    77    43   0.02100 -1.0 2.0
   29    33    77    43   0.24950  1.0 3.0
   29    33    77    69   0.23200  1.0 1.0
   29    33    77    69   0.02100 -1.0 2.0
   29    33    77    69   0.24950  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37   -40    43   0.46850  1.0 1.0
   33    37   -40    43   0.08550 -1.0 2.0
   33    37   -40    43   0.09800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33    55    47   0.65300  1.0 1.0
   37    33    55    47  -0.03850 -1.0 2.0
   37    33    55    47   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    33   -77    43  -0.60800  1.0 1.0
   37    33   -77    43   1.10050 -1.0 2.0
   37    33   -77    43   0.47000  1.0 3.0
   37    33    77    69  -0.60800  1.0 1.0
   37    33    77    69   1.10050 -1.0 2.0
   37    33    77    69   0.47000  1.0 3.0
   37    38   -42    47   0.69550 -1.0 2.0
   37    38    42    49   1.09650  1.0 1.0
   37    38    42    49   0.48950 -1.0 2.0
   37    38    42    49   0.49400  1.0 3.0
   37    40    43    51   0.34400  1.0 1.0
   37    40    43    51   0.09450 -1.0 2.0
   37    40    43    51   0.11100  1.0 3.0
   37    40   -43    77   0.59950  1.0 1.0
   37    40   -43    77  -0.21400 -1.0 2.0
   37    40   -43    77   0.56200  1.0 3.0
   37    40    43    53   0.61850  1.0 1.0
   37    40    43    53  -0.22750 -1.0 2.0
   37    40    43    53   0.15300  1.0 3.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40    44    54   0.61850  1.0 1.0
   37    40    44    54  -0.22750 -1.0 2.0
   37    40    44    54   0.15300  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   0.09850  1.0 1.0
   38    37    40    43   0.15250 -1.0 2.0
   38    37    40    43  -0.50650  1.0 3.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    55  -0.51250  1.0 1.0
   38    42    47    55  -0.88800 -1.0 2.0
   38    42    47    55   0.08850  1.0 3.0
   38    42    47    57   0.09850  1.0 1.0
   38    42    47    57   0.15250 -1.0 2.0
   38    42    47    57  -0.50650  1.0 3.0
   38    42    49    50   6.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    47   -55    33   0.65300  1.0 1.0
   42    47   -55    33  -0.03850 -1.0 2.0
   42    47   -55    33   0.33900  1.0 3.0
   42    47    55    56   0.30150 -1.0 2.0
   42    47    57    58   0.15000  1.0 3.0
   42    47    57    59   0.15000  1.0 3.0
   42    47    57    60   0.15000  1.0 3.0
   47    42    49    50   6.00000 -1.0 2.0
   48    47    55    33   0.00000  1.0 1.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   48    47    57    60   0.15000  1.0 3.0
   55    33   -37    38  -0.51250  1.0 1.0
   55    33   -37    38  -0.88800 -1.0 2.0
   55    33   -37    38   0.08850  1.0 3.0
   55    33    37    40   0.17250  1.0 1.0
   55    33    37    40  -0.04100 -1.0 2.0
   55    33    37    40  -0.33850  1.0 3.0
   55    33    77    43  -1.76800  1.0 1.0
   55    33    77    43   1.02600 -1.0 2.0
   55    33    77    43   0.19700  1.0 3.0
   55    33    77    69  -1.76800  1.0 1.0
   55    33    77    69   1.02600 -1.0 2.0
   55    33    77    69   0.19700  1.0 3.0
   55    47    57    58  -0.11250  1.0 3.0
   55    47    57    59  -0.11250  1.0 3.0
   55    47    57    60  -0.11250  1.0 3.0
   57    47    55    33   0.60050  1.0 1.0
   57    47    55    33   0.05600 -1.0 2.0
   57    47    55    33   0.26150  1.0 3.0
   57    47    55    56   0.30150 -1.0 2.0
   49    42    47    48   0.00000  1.0 1.0
   49    42    47    55   0.00000  1.0 1.0
   49    42    47    57   0.00000  1.0 1.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    61   0.07850  1.0 1.0
   40    43    51    61  -0.03950 -1.0 2.0
   40    43    51    61   0.67350  1.0 3.0
   40    43    51    72   1.53400  1.0 1.0
   40    43    51    72  -0.09950 -1.0 2.0
   40    43    51    72   0.05700  1.0 3.0
   40    43   -77    33   1.99000  1.0 1.0
   40    43   -77    33   0.18800 -1.0 2.0
   40    43   -77    33   0.81350  1.0 3.0
   40    43    77    69   1.99000  1.0 1.0
   40    43    77    69   0.18800 -1.0 2.0
   40    43    77    69   0.81350  1.0 3.0
   40    43    53    63   0.06250  1.0 1.0
   40    43    53    63  -0.01100 -1.0 2.0
   40    43    53    63   0.28050  1.0 3.0
   40    44    54    67  -0.25900  1.0 1.0
   40    44    54    67  -0.47000 -1.0 2.0
   40    44    54    67   0.11750  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    77   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    54   0.23400  1.0 3.0
   43    40    44    45   0.15000  1.0 3.0
   43    40    44    46   0.15000  1.0 3.0
   43    40    44    54   0.62750  1.0 1.0
   43    40    44    54  -0.30950 -1.0 2.0
   43    40    44    54   0.27300  1.0 3.0
   43    51    61    62   0.15000  1.0 3.0
   43    51   -61    69   3.97050  1.0 1.0
   43    51   -61    72   1.53400  1.0 1.0
   43    51   -61    72  -0.09950 -1.0 2.0
   43    51   -61    72   0.05700  1.0 3.0
   43    51   -72    61  -0.35450  1.0 1.0
   43    51   -72    61   0.44050 -1.0 2.0
   43    51   -72    61   0.77100  1.0 3.0
   43    51    72    73   0.03200  1.0 1.0
   43    51    72    73   0.33800 -1.0 2.0
   43    53    63    64   0.37050  1.0 3.0
   43    53    63    65   0.37050  1.0 3.0
   43    53    63    66   0.37050  1.0 3.0
   51    43    77    33   1.99000  1.0 1.0
   51    43    77    33   0.18800 -1.0 2.0
   51    43    77    33   0.81350  1.0 3.0
   51    43   -77    69   1.99000  1.0 1.0
   51    43   -77    69   0.18800 -1.0 2.0
   51    43   -77    69   0.81350  1.0 3.0
   51    43    53    63   0.06250  1.0 1.0
   51    43    53    63  -0.01100 -1.0 2.0
   51    43    53    63   0.28050  1.0 3.0
   51    61    69    70   0.15000  1.0 3.0
   51    61    69    71   0.15000  1.0 3.0
   51    61   -69    77   1.53400  1.0 1.0
   51    61   -69    77  -0.09950 -1.0 2.0
   51    61   -69    77   0.05700  1.0 3.0
   51    61   -72    73   0.03200  1.0 1.0
   51    61   -72    73   0.33800 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    69   0.15000  1.0 3.0
   52    51   -61    72   0.15000  1.0 3.0
   52    51   -72    61   0.28000  1.0 3.0
   52    51    72    73   0.20000  1.0 3.0
   61    51   -72    73   0.03200  1.0 1.0
   61    51   -72    73   0.33800 -1.0 2.0
   61    69    77    33   1.99000  1.0 1.0
   61    69    77    33   0.18800 -1.0 2.0
   61    69    77    33   0.81350  1.0 3.0
   61    69   -77    43   1.99000  1.0 1.0
   61    69   -77    43   0.18800 -1.0 2.0
   61    69   -77    43   0.81350  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    77   0.15000  1.0 3.0
   62    61   -72    51   0.28000  1.0 3.0
   62    61    72    73   0.20000  1.0 3.0
   69    61   -72    51  -0.35450  1.0 1.0
   69    61   -72    51   0.44050 -1.0 2.0
   69    61   -72    51   0.77100  1.0 3.0
   69    61    72    73   0.03200  1.0 1.0
   69    61    72    73   0.33800 -1.0 2.0
   70    69    77    33   0.28000  1.0 3.0
   70    69    77    43   0.10550  1.0 3.0
   71    69    77    33   0.28000  1.0 3.0
   71    69    77    43   0.10550  1.0 3.0
   77    33    37    38   0.90200  1.0 1.0
   77    33    37    38   0.57900 -1.0 2.0
   77    33    37    38  -0.62100  1.0 3.0
   77    33   -37    40   0.52100  1.0 1.0
   77    33   -37    40  -0.20350 -1.0 2.0
   77    33   -37    40   0.29750  1.0 3.0
   77    33    55    47  -0.05600  1.0 1.0
   77    33    55    47   0.24350 -1.0 2.0
   77    33    55    47   1.01150  1.0 3.0
   77    33    55    56   0.30150 -1.0 2.0
   77    43    51    52   0.15000  1.0 3.0
   77    43   -51    61   1.53400  1.0 1.0
   77    43   -51    61  -0.09950 -1.0 2.0
   77    43   -51    61   0.05700  1.0 3.0
   77    43    51    72   2.32150  1.0 1.0
   77    43    53    63  -1.02450  1.0 1.0
   77    43    53    63  -0.46500 -1.0 2.0
   77    43    53    63   0.47400  1.0 3.0
   72    51   -61    62   0.15000  1.0 3.0
   72    51   -61    69   1.53400  1.0 1.0
   72    51   -61    69  -0.09950 -1.0 2.0
   72    51   -61    69   0.05700  1.0 3.0
   72    61    69    70   0.15000  1.0 3.0
   72    61    69    71   0.15000  1.0 3.0
   72    61   -69    77   2.32150  1.0 1.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    61  -0.26800  1.0 1.0
   53    43    51    61   0.69150 -1.0 2.0
   53    43    51    61  -0.48750  1.0 3.0
   53    43    51    72   2.01850  1.0 1.0
   53    43    51    72  -0.32950 -1.0 2.0
   53    43    51    72  -0.50350  1.0 3.0
   53    43    77    33   1.00600  1.0 1.0
   53    43    77    33  -1.41450 -1.0 2.0
   53    43    77    33   0.25150  1.0 3.0
   53    43    77    69   1.00600  1.0 1.0
   53    43    77    69  -1.41450 -1.0 2.0
   53    43    77    69   0.25150  1.0 3.0
   44    40    43    51   0.47050  1.0 1.0
   44    40    43    51   0.03900 -1.0 2.0
   44    40    43    51   0.20100  1.0 3.0
   44    40    43    77   1.53400  1.0 1.0
   44    40    43    77  -0.09950 -1.0 2.0
   44    40    43    77   0.05700  1.0 3.0
   44    40    43    53   0.62750  1.0 1.0
   44    40    43    53  -0.30950 -1.0 2.0
   44    40    43    53   0.27300  1.0 3.0
   44    54    67    68   3.00000 -1.0 2.0
   44    54    67    74  -0.80800  1.0 1.0
   44    54    67    74   2.06850 -1.0 2.0
   45    44    54    67   0.08050  1.0 3.0
   46    44    54    67   0.08050  1.0 3.0
   54    67    74    75   2.56700 -1.0 2.0
   54    67    74    76   2.56700 -1.0 2.0
   68    67    74    75   2.45000 -1.0 2.0
   68    67    74    76   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    47    42    49  10.50000 -1.0 2.0
   33    47    55    56  10.50000 -1.0 2.0
   54    74    67    68  10.50000 -1.0 2.0
   76    67    74    75   1.00000 -1.0 2.0
END
