* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    148    211     419
    1     0 S   NP   _N1_     1    28.93132    93.74977   -23.99153
    2     1 S   H    _HN1     2     1.02828    22.48269   171.47622
    3     1 S   H    _H1_     3     1.02788   107.78051   -94.59026
    4     1 S   H    _H2_     4     1.02950    86.27579    13.50596
    5     1 S   CT   _CA1     5     1.50105   127.91992   126.60728
    6     5 S   HC   _HA1     6     1.09575   105.20442    76.00831
    7     5 S   CO3  _C1_     7     1.53794   112.46039   -44.24774
    8     7 S   O2Z  _O11     8     1.26373   115.01007   -42.89516
    9     7 S   O2Z  _O12     9     1.26242   114.94641   136.27334
   10     5 S   CT   _CB1    10     1.53083   107.42729  -166.00425
   11    10 S   HC   HB11    11     1.09833   109.39021   -49.76933
   12    10 S   HC   HB12    12     1.09814   110.44685    66.84761
   13    10 S   CT   _CG1    13     1.52983   112.58290  -170.74619
   14    13 S   HC   HG11    14     1.09585   110.62087   -65.29074
   15    13 S   HC   HG12    15     1.09670   109.79306    53.93203
   16    13 S   C    _CD1    16     1.51797   112.25451   174.40332
   17    16 S   O    _OE1    17     1.22730   123.28847     6.36895
   18    16 S   N    _N2_    18     1.38631   111.62440  -173.69615
   19    18 S   H    _HN2    19     1.01581   118.98585     1.75613
   20    18 S   CT1  _CA2    20     1.46248   123.48434   177.91850
   21    20 S   HC   _HA2    21     1.09738   109.32139     3.84853
   22    20 S   C    _C2_    22     1.53618   108.89890  -111.64514
   23    22 S   O    _O2_    23     1.23064   122.27635  -150.48553
   24    20 S   CT   _CB2    32     1.53423   111.33371   125.81061
   25    24 S   HC   HB21    33     1.09374   109.52065    56.27615
   26    24 S   HC   HB22    34     1.09471   109.90603   174.99492
   27    22 S   N    _N3_    24     1.38332   113.80672    37.10170
   28    27 S   H    _HN3    25     1.01566   119.56128    -3.50381
   29    24 S   S    _SG2    35     1.83312   110.98418   -65.64659
   30    27 S   CT   _CA3    26     1.45275   123.23126   177.10038
   31    30 S   HC   HA31    27     1.09549   107.52382   -64.39318
   32    30 S   HC   HA32    28     1.09558   107.97861    52.05089
   33    29 S   CT   _C19    36     1.87566   101.70835   166.81057
   34    30 S   CO3  _C3_    29     1.52960   114.06674   174.04040
   35    34 S   O2Z  _O31    30     1.26378   116.07102    -0.49653
   36    34 S   O2Z  _O32    31     1.26428   114.41376   179.56121
   37    33 S   CM   _C5_    37     1.52528   107.56962    53.63520
   38    37 S   HC   _H23    38     1.09399   112.50143    58.76353
   39    33 S   CT   _C12    46     1.53929   106.98348   -74.39193
   40    39 S   HC   _H31    47     1.09728   111.26434   -59.36798
   41    39 S   HC   _H32    48     1.09433   112.99925    61.14345
   42    39 S   HC   _H33    49     1.09500   111.77672  -178.20943
   43    33 S   CT   _C18    50     1.55866   104.95397   169.53597
   44    43 S   HC   _H45    51     1.10010   109.58444    59.56678
   45    43 S   HC   _H46    52     1.10041   109.76815   -56.48997
   46    37 S   CMA  _C7_    39     1.35569   131.75609  -121.56362
   47    46 S   OM   _O17    40     1.26633   126.75681    -0.46897
   48    43 S   CT   _C14    53     1.53790   114.81303  -178.39672
   49    48 S   HC   _H37    54     1.09184   110.94972   -57.24407
   50    48 S   HC   _H38    55     1.09621   110.39204    59.93899
   51    46 S   OS   _O20    41     1.42436   109.07674  -179.61083
   52    48 S   CM   _C4_    56     1.50393   110.44093   178.80025
   53    52 S   HC   _H22    57     1.08998   113.81679   -75.39309
   54    51 S   CT   _C13    42     1.42687   114.76984  -152.53916
   55    54 S   HC   _H34    43     1.09407   107.75987   173.28461
   56    54 S   HC   _H35    44     1.09533   111.08589    55.18197
   57    54 S   HC   _H36    45     1.09485   111.02237   -68.81455
   58    52 S   CM   _C6_    58     1.34772   128.11747   103.90577
   59    58 S   CT   _C10    59     1.50375   124.90169    -0.00000
   60    59 S   HC   _H25    60     1.09495   110.03409   119.55293
   61    59 S   HC   _H26    61     1.09444   110.47963  -120.85873
   62    59 S   HC   _H27    62     1.09187   113.58842    -0.96388
   63    58 S   CT   _C15    63     1.51770   119.70119   180.00000
   64    63 S   HC   _H39    64     1.09731   110.12058   -15.60937
   65    63 S   HC   _H40    65     1.09743   108.72296  -130.67707
   66    63 S   CT   _C16    66     1.53371   114.19071   107.30367
   67    66 S   HC   _H41    67     1.09636   108.70147   178.22447
   68    66 S   HC   _H42    68     1.09643   110.07806    62.89554
   69    66 S   C3T  _C8_    69     1.49723   112.67403   -58.44316
   70    69 S   HC   _H24    70     1.08337   112.61094    77.62661
   71    69 S   C3T  _C9_    71     1.51977   124.19246   -77.84390
   72    69 S   O3T  _O18    72     1.43531   114.62192  -144.81924
   73    71 S   CT   _C11    73     1.49723   121.93246    -0.37534
   74    73 S   HC   _H28    74     1.09516   110.43963  -153.09661
   75    73 S   HC   _H29    75     1.09454   110.27718    87.53651
   76    73 S   HC   _H30    76     1.09398   112.66064   -33.27697
   77    71 S   CT   _C17    77     1.49906   118.02135   158.19515
   78    77 S   HC   _H43    78     1.09487   110.71503   150.06110
   79    77 S   HC   _H44    79     1.09551   111.66219    29.31556
   80    77 S   OH   _O19    80     1.42178   109.13152   -90.30278
   81    80 S   HO   _H47    81     0.97240   107.05152   177.52275
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  13   5   8   3   2   1   9   5   4   6   2   7
   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9   5
   4   8   5   4  11   4  10   8   7   3   2   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50    52  
   35    36  
   36  
    0  
   38    46    47    51    54    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    52    53    58    46  
   45    48    49    50    52  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    63  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63    64    65    66  
   58    59    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    77  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    77  
   72    73    74    75    76    77    78    79    80    81  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   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    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    51   440.000  1.360
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   317.000  1.510
   58    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   275.000  1.510
   69    70   340.000  1.088
   69    71   260.000  1.509
   69    72   335.000  1.432
   71    72   335.000  1.432
   71    73   275.000  1.510
   71    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    51    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    51    54    90.00000  111.18400
   51    46    47    65.00000  121.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    52    70.00000  112.02700
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    70.00000  124.00000
   52    58    63    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    58    59    65.00000  117.92700
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    70.00000  112.37300
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    40.00000  115.04500
   66    69    71    60.00000  120.94000
   66    69    72    80.00000  116.47100
   68    66    67    33.00000  107.80000
   69    66    67    45.00000  109.38400
   69    66    68    45.00000  109.38400
   69    71    72    15.00000   60.43100
   69    71    73    60.00000  120.94000
   69    71    77    60.00000  120.94000
   69    72    71    15.00000   59.14900
   71    69    70    37.50000  117.20000
   71    73    74    45.00000  109.38400
   71    73    75    45.00000  109.38400
   71    73    76    45.00000  109.38400
   71    77    78    45.00000  109.38400
   71    77    79    45.00000  109.38400
   71    77    80    50.00000  109.50000
   72    69    70    50.00000  114.27700
   72    69    71    15.00000   60.43100
   73    71    72    80.00000  116.47100
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    72    80.00000  116.47100
   77    71    73    58.35000  112.70000
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.44750  1.0 1.0
   29    33    43    48  -0.17800 -1.0 2.0
   29    33    43    48   0.20200  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.15000  1.0 3.0
   33    43    48    50   0.15000  1.0 3.0
   33    43    48    52   0.34400  1.0 1.0
   33    43    48    52   0.09450 -1.0 2.0
   33    43    48    52   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.34400  1.0 1.0
   37    33    43    48   0.09450 -1.0 2.0
   37    33    43    48   0.11100  1.0 3.0
   37    46    51    54  -2.26850  1.0 1.0
   37    46    51    54   3.39050 -1.0 2.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    54    55   0.08050  1.0 3.0
   46    51    54    56   0.08050  1.0 3.0
   46    51    54    57   0.08050  1.0 3.0
   47    46    51    54   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.56750  1.0 1.0
   39    33    43    48  -0.07550 -1.0 2.0
   39    33    43    48   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    58   0.09850  1.0 1.0
   43    48    52    58   0.15250 -1.0 2.0
   43    48    52    58  -0.50650  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    52   0.15000  1.0 3.0
   48    52    58    59   7.00000 -1.0 2.0
   48    52    58    63   7.00000 -1.0 2.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.33100  1.0 3.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    59    60   0.00000  1.0 1.0
   52    58    59    61   0.00000  1.0 1.0
   52    58    59    62   0.00000  1.0 1.0
   52    58    63    64   0.00000  1.0 1.0
   52    58    63    65   0.00000  1.0 1.0
   52    58    63    66   0.09850  1.0 1.0
   52    58    63    66   0.15250 -1.0 2.0
   52    58    63    66  -0.50650  1.0 3.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    63   7.00000 -1.0 2.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    69   0.34400  1.0 1.0
   58    63    66    69   0.09450 -1.0 2.0
   58    63    66    69   0.11100  1.0 3.0
   59    58    63    64   0.34800  1.0 3.0
   59    58    63    65   0.34800  1.0 3.0
   59    58    63    66   0.46850  1.0 1.0
   59    58    63    66   0.08550 -1.0 2.0
   59    58    63    66   0.09800  1.0 3.0
   63    58    59    60   0.34800  1.0 3.0
   63    58    59    61   0.34800  1.0 3.0
   63    58    59    62   0.34800  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.07850  1.0 1.0
   63    66    69    71  -0.03950 -1.0 2.0
   63    66    69    71   0.67350  1.0 3.0
   63    66    69    72   0.02550  1.0 1.0
   63    66    69    72  -0.02600 -1.0 2.0
   63    66    69    72   1.20400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69   -71    72   0.02550  1.0 1.0
   66    69   -71    72  -0.02600 -1.0 2.0
   66    69   -71    72   1.20400  1.0 3.0
   66    69    71    73   0.56750  1.0 1.0
   66    69    71    73  -0.07550 -1.0 2.0
   66    69    71    73   0.20000  1.0 3.0
   66    69    71    77   0.56750  1.0 1.0
   66    69    71    77  -0.07550 -1.0 2.0
   66    69    71    77   0.20000  1.0 3.0
   66    69   -72    71   0.06250  1.0 1.0
   66    69   -72    71  -0.01100 -1.0 2.0
   66    69   -72    71   0.28050  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.23400  1.0 3.0
   69    71    73    74   0.15000  1.0 3.0
   69    71    73    75   0.15000  1.0 3.0
   69    71    73    76   0.15000  1.0 3.0
   69    71    77    78   0.15000  1.0 3.0
   69    71    77    79   0.15000  1.0 3.0
   69    71    77    80   0.86500  1.0 1.0
   69    71    77    80  -0.17500 -1.0 2.0
   69    71    77    80   0.20800  1.0 3.0
   70    69   -71    72   0.23400  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    77   0.15000  1.0 3.0
   70    69   -72    71   0.36800  1.0 3.0
   71    77    80    81  -0.11600  1.0 1.0
   71    77    80    81  -0.09450 -1.0 2.0
   71    77    80    81   0.21250  1.0 3.0
   72    69   -71    73   0.02550  1.0 1.0
   72    69   -71    73  -0.02600 -1.0 2.0
   72    69   -71    73   1.20400  1.0 3.0
   72    69   -71    77   0.02550  1.0 1.0
   72    69   -71    77  -0.02600 -1.0 2.0
   72    69   -71    77   1.20400  1.0 3.0
   72    71    73    74   0.23400  1.0 3.0
   72    71    73    75   0.23400  1.0 3.0
   72    71    73    76   0.23400  1.0 3.0
   72    71    77    78   0.23400  1.0 3.0
   72    71    77    79   0.23400  1.0 3.0
   72    71    77    80   3.69350  1.0 1.0
   72    71    77    80  -1.82950 -1.0 2.0
   73    71   -72    69   0.06250  1.0 1.0
   73    71   -72    69  -0.01100 -1.0 2.0
   73    71   -72    69   0.28050  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.86500  1.0 1.0
   73    71    77    80  -0.17500 -1.0 2.0
   73    71    77    80   0.20800  1.0 3.0
   77    71   -72    69   0.06250  1.0 1.0
   77    71   -72    69  -0.01100 -1.0 2.0
   77    71   -72    69   0.28050  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   47    51    46    37  15.00000 -1.0 2.0
   48    53    52    58  15.00000 -1.0 2.0
   59    63    58    52  15.00000 -1.0 2.0
END
