* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    158    239     470
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02041    90.96643    38.83307
    3     1 S   H    _H1_     3     1.02166    32.87862   163.22644
    4     1 S   H    _H2_     4     1.02079    89.56437   -69.87605
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.82976    97.89697   161.86183
   34    33 S   HC   _H3_    37     1.09721   105.73598    37.57840
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C6_    38     1.53204   111.86088   -80.01760
   39    38 S   HC   _H32    39     1.09628   109.18153    65.01048
   40    38 S   OS   _O20    40     1.42492   111.02817  -178.37538
   41    38 S   C    _C4_    84     1.50454   115.40931   -54.28639
   42    41 S   O    _O16    85     1.22182   125.08092   -29.01887
   43    40 S   CO   _C15    41     1.42599   114.86486    57.60199
   44    43 S   HC   _H41    42     1.09680   110.62692    65.92252
   45    41 S   OH   _O22    86     1.35592   110.65270   151.13691
   46    45 S   HO   _H48    87     0.98114   111.89841   179.90309
   47    43 S   CT   _C11    43     1.52716   111.23693   -57.79241
   48    47 S   HC   _H37    44     1.10396   110.10783   -68.99390
   49    43 S   OS   _O28    51     1.42918   109.54071  -176.70640
   50    33 S   CT   _C9_    45     1.53257   111.03925   154.05420
   51    50 S   HC   _H35    46     1.09642   111.97708    53.36540
   52    47 S   OH   _O24    49     1.42840   109.41428   174.33427
   53    52 S   HO   _H50    50     0.96918   106.37525   -62.81930
   54    49 S   CT   _C8_    52     1.42560   111.40555   -59.74448
   55    54 S   HC   _H34    53     1.09764   107.25490    -0.10468
   56    50 S   OH   _O23    47     1.42810   110.07821   -65.89446
   57    56 S   HO   _H49    48     0.96909   106.36190   -60.04162
   58    54 S   CT   _C7_    54     1.53304   109.51227  -118.76628
   59    58 S   HC   _H33    55     1.09745   109.97885   -49.59006
   60    58 S   CO   _C14    56     1.53602   110.63505  -171.59342
   61    60 S   HC   _H40    57     1.09764   110.85129   -69.25518
   62    58 S   N    _N15    76     1.44868   110.23434    66.07633
   63    62 S   H    _H47    77     1.01411   118.45319    91.48305
   64    60 S   OS   _O21    58     1.42755   111.09769    52.60609
   65    60 S   OH   _O25    74     1.42628   108.17000   172.64502
   66    65 S   HO   _H51    75     0.96897   106.46381   180.00000
   67    62 S   C    _C5_    78     1.38009   123.03572   -88.63442
   68    67 S   O    _O17    79     1.22539   126.54229     0.05595
   69    64 S   CT   _C13    59     1.43130   113.24825   -60.35692
   70    69 S   HC   _H39    60     1.09768   108.66693   -57.33933
   71    67 S   CT   _C16    80     1.49316   113.91199   179.94766
   72    71 S   HC   _H42    81     1.10125   112.42715    90.01920
   73    71 S   HC   _H43    82     1.10153   112.44327  -151.31428
   74    71 S   HC   _H44    83     1.10177   115.32535   -30.68131
   75    54 S   CT   _C10    61     1.52941   109.90204   118.74870
   76    75 S   HC   _H36    62     1.09652   109.77978   -63.20435
   77    69 S   CT   _C17    69     1.52350   107.40939  -174.15648
   78    77 S   HC   _H45    70     1.09062   110.02706    58.94889
   79    77 S   HC   _H46    71     1.09080   110.06290   -61.86980
   80    75 S   OS   _O29    63     1.42978   108.52380    53.61273
   81    77 S   OH   _O26    72     1.41555   108.67022   178.51089
   82    81 S   HO   _H52    73     0.97262   107.06825  -179.98022
   83    80 S   SY   _S31    64     1.63082   119.52858   -79.96967
   84    83 S   OY   _O18    65     1.45091   107.30044   -40.02310
   85    83 S   OY   _O19    66     1.45091   109.12214    91.66352
   86    83 S   OS   _O27    67     1.63191   103.61994  -153.58566
   87    86 S   HO   _H53    68     0.98584   115.66325  -175.63444
  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
  15   8   2   1   1  13   6  11   5   2  13   6   1   1   9   6
  12   5   3   2   1  17   8   1   1  15   8  11   5  10   3  11
   2   1   5   4  10   7   3   2   1   1  10   3   5   3   2   5
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    50    51    56    57    52    41    42    45  
   38    39    40    47    50    51    56    41  
   36    37  
   37  
    0  
   39    40    43    44    47    50    51    56    49    41    42    45    46  
   40    43    50    41    42    45  
   43    44    47    48    50    52    49    54    41    42    45  
   42    45    46    43    50  
   45    46  
   44    47    48    50    51    56    52    53    49    54    55    58    75  
   47    48    50    52    49    54  
   46  
    0  
   48    50    51    56    57    52    53    49    54  
   50    51    56    52    53    49  
   54    55    58    59    60    69    75    76    80    62    50    52  
   51    56    57    52    53  
   56    57    52  
   53    56  
    0  
   55    58    59    60    61    64    69    70    75    76    80    83    77    65    62    63    67  
   58    59    60    69    75    76    80    62  
   57  
    0  
   59    60    61    64    69    75    76    80    65    66    62    63    67    68    71  
   60    61    64    75    65    62    63    67  
   61    64    69    70    75    77    65    66    62    63    67  
   64    69    65    66    62  
   63    67    68    71    72    73    74    64    65    75  
   67    68    71  
   69    70    75    76    80    77    78    79    81    65    66  
   66    69  
    0  
   68    71    72    73    74  
   71    72    73    74  
   70    75    76    80    83    77    78    79    81    82  
   75    76    80    77    78    79    81  
   72    73    74  
   73    74  
   74  
    0  
   76    80    83    84    85    86    77    78    79    81  
   80    83    77  
   78    79    81    82    80  
   79    81    82  
   81    82  
   83    84    85    86    87  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.107500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.280900   1.7660   1.5600   0.020110767  -0.896042159
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.2500   1.247600   2.0025   1.7750   0.025682759  -1.666211680
   84   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   85   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   86   2.9000   0.1400  -0.541600   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.431800   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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.380
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    52   320.000  1.410
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    57   553.000  0.945
   52    53   553.000  0.945
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    75   268.000  1.529
   58    59   340.000  1.090
   58    60   250.000  1.527
   58    62   337.000  1.449
   60    61   340.000  1.090
   60    64   320.000  1.380
   60    65   380.000  1.407
   64    69   320.000  1.410
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    77   268.000  1.529
   75    76   340.000  1.090
   75    80   320.000  1.410
   80    83   335.000  1.682
   83    84   735.000  1.471
   83    85   735.000  1.471
   83    86   335.000  1.682
   86    87   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    81   320.000  1.410
   81    82   553.000  0.945
   65    66   553.000  0.945
   62    63   434.000  1.010
   62    67   490.000  1.335
   67    68   570.000  1.229
   67    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   41    42   570.000  1.229
   41    45   450.000  1.364
   45    46   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    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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    63.00000  111.10000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  109.50000
   38    41    42    80.00000  120.40000
   38    41    45    70.00000  108.00000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    47    90.00000  108.56700
   40    43    49    92.60000  111.55000
   43    47    48    45.00000  108.72000
   43    47    50    75.00000  109.43000
   43    47    52    90.00000  111.58700
   43    49    54    60.00000  109.50000
   47    43    44    45.00000  112.01100
   47    50    51    37.50000  110.70000
   47    50    56    50.00000  109.50000
   47    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    56    57    55.00000  108.50000
   56    50    51    35.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    50    50.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  108.56700
   49    54    55    35.00000  109.50000
   49    54    58    50.00000  109.50000
   49    54    75    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    75.00000  109.43000
   54    58    62    70.00000  110.72300
   54    75    69    58.35000  112.70000
   54    75    76    37.50000  110.70000
   54    75    80    50.00000  109.50000
   58    54    55    37.50000  110.70000
   58    60    61    45.00000  112.01100
   58    60    64    90.00000  108.56700
   58    60    65    90.00000  110.19100
   58    62    63    38.00000  118.40000
   58    62    67    50.00000  121.90000
   60    58    59    45.00000  108.72000
   60    64    69    60.00000  109.50000
   60    65    66    70.00000  107.92000
   64    60    61    35.00000  109.50000
   64    69    70    35.00000  109.50000
   64    69    75    50.00000  109.50000
   64    69    77    50.00000  109.50000
   69    75    76    37.50000  110.70000
   69    75    80    50.00000  109.50000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    81    50.00000  109.50000
   75    54    55    37.50000  110.70000
   75    54    58    58.35000  112.70000
   75    69    70    37.50000  110.70000
   75    80    83   100.00000  113.05000
   80    75    76    35.00000  109.50000
   80    83    84   135.00000  106.70400
   80    83    85   135.00000  106.70400
   80    83    86   135.00000  103.05200
   83    86    87    65.00000  110.03400
   85    83    84   115.00000  120.17200
   86    83    84   135.00000  106.70400
   86    83    85   135.00000  106.70400
   77    69    70    37.50000  110.70000
   77    69    75    58.35000  112.70000
   77    81    82    55.00000  108.50000
   79    77    78    33.00000  107.80000
   81    77    78    35.00000  109.50000
   81    77    79    35.00000  109.50000
   65    60    61    60.00000  108.02500
   65    60    64   110.00000  112.08000
   62    58    59    35.00000  109.50000
   62    58    60    70.00000  110.72300
   62    67    68    80.00000  122.90000
   62    67    71    70.00000  116.60000
   67    62    63    35.00000  119.80000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   71    67    68    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  108.55600
   41    45    46    35.00000  113.00000
   45    41    42   100.00000  123.32000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   33    38    40    43   0.06250  1.0 1.0
   33    38    40    43  -0.01100 -1.0 2.0
   33    38    40    43   0.28050  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.50000  1.0 1.0
   33    38    41    45   0.27300 -1.0 2.0
   33    38    41    45   0.22500  1.0 3.0
   33    50    56    57  -0.11600  1.0 1.0
   33    50    56    57  -0.09450 -1.0 2.0
   33    50    56    57   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    56   0.23400  1.0 3.0
   38    33    50    47   0.56750  1.0 1.0
   38    33    50    47  -0.07550 -1.0 2.0
   38    33    50    47   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.86500  1.0 1.0
   38    33    50    56  -0.17500 -1.0 2.0
   38    33    50    56   0.20800  1.0 3.0
   38    40    43    44   0.37050  1.0 3.0
   38    40   -43    47   0.06250  1.0 1.0
   38    40   -43    47  -0.01100 -1.0 2.0
   38    40   -43    47   0.28050  1.0 3.0
   38    40    43    49  -0.81800  1.0 1.0
   38    41    45    46   1.50000  1.0 1.0
   38    41    45    46   2.45000 -1.0 2.0
   39    38    40    43   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    45   0.40000  1.0 3.0
   40    43    47    48   0.23400  1.0 3.0
   40    43    47    50   0.62750  1.0 1.0
   40    43    47    50  -0.30950 -1.0 2.0
   40    43    47    50   0.27300  1.0 3.0
   40    43    47    52   3.69350  1.0 1.0
   40    43    47    52  -1.82950 -1.0 2.0
   40    43    49    54  -0.53350  1.0 1.0
   40    43    49    54  -0.78350 -1.0 2.0
   40    43    49    54   0.33750  1.0 3.0
   43    47   -50    33   3.97050  1.0 1.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    56   0.86500  1.0 1.0
   43    47    50    56  -0.17500 -1.0 2.0
   43    47    50    56   0.20800  1.0 3.0
   43    47    52    53  -0.11600  1.0 1.0
   43    47    52    53  -0.09450 -1.0 2.0
   43    47    52    53   0.21250  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    58   0.06250  1.0 1.0
   43    49    54    58  -0.01100 -1.0 2.0
   43    49    54    58   0.28050  1.0 3.0
   43    49    54    75   0.06250  1.0 1.0
   43    49    54    75  -0.01100 -1.0 2.0
   43    49    54    75   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   47    43    49    54   0.06250  1.0 1.0
   47    43    49    54  -0.01100 -1.0 2.0
   47    43    49    54   0.28050  1.0 3.0
   47    50    56    57  -0.11600  1.0 1.0
   47    50    56    57  -0.09450 -1.0 2.0
   47    50    56    57   0.21250  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.62750  1.0 1.0
   50    33   -38    40  -0.30950 -1.0 2.0
   50    33   -38    40   0.27300  1.0 3.0
   50    33    38    41  -0.95700  1.0 1.0
   50    33    38    41  -0.18200 -1.0 2.0
   50    33    38    41   0.29450  1.0 3.0
   50    47    52    53  -0.11600  1.0 1.0
   50    47    52    53  -0.09450 -1.0 2.0
   50    47    52    53   0.21250  1.0 3.0
   51    50    56    57   0.19450  1.0 3.0
   52    47    50    33   0.86500  1.0 1.0
   52    47    50    33  -0.17500 -1.0 2.0
   52    47    50    33   0.20800  1.0 3.0
   52    47    50    51   0.23400  1.0 3.0
   52    47    50    56   3.75450  1.0 1.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50   0.62750  1.0 1.0
   49    43    47    50  -0.30950 -1.0 2.0
   49    43    47    50   0.27300  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   49    54    58    59   0.23400  1.0 3.0
   49    54    58    60   0.62750  1.0 1.0
   49    54    58    60  -0.30950 -1.0 2.0
   49    54    58    60   0.27300  1.0 3.0
   49    54    58    62   1.12100  1.0 1.0
   49    54    58    62  -0.16500 -1.0 2.0
   49    54    75    69   0.62750  1.0 1.0
   49    54    75    69  -0.30950 -1.0 2.0
   49    54    75    69   0.27300  1.0 3.0
   49    54    75    76   0.23400  1.0 3.0
   49    54    75    80   1.11900  1.0 1.0
   49    54    75    80  -1.16350 -1.0 2.0
   49    54    75    80  -0.34150  1.0 3.0
   54    58    60    61   0.15000  1.0 3.0
   54    58    60    64   0.62750  1.0 1.0
   54    58    60    64  -0.30950 -1.0 2.0
   54    58    60    64   0.27300  1.0 3.0
   54    58    60    65   0.86500  1.0 1.0
   54    58    60    65  -0.17500 -1.0 2.0
   54    58    60    65   0.20800  1.0 3.0
   54    58    62    63   0.00000  1.0 1.0
   54    58    62    67  -0.43950  1.0 1.0
   54    58    62    67  -0.08100 -1.0 2.0
   54    58    62    67   0.03350  1.0 3.0
   54    75    80    83   0.37500  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    75    69   0.15000  1.0 3.0
   55    54    75    76   0.15000  1.0 3.0
   55    54    75    80   0.23400  1.0 3.0
   58    54    75    69   0.56750  1.0 1.0
   58    54    75    69  -0.07550 -1.0 2.0
   58    54    75    69   0.20000  1.0 3.0
   58    54    75    76   0.15000  1.0 3.0
   58    54    75    80   0.62750  1.0 1.0
   58    54    75    80  -0.30950 -1.0 2.0
   58    54    75    80   0.27300  1.0 3.0
   58    60   -64    69   0.06250  1.0 1.0
   58    60   -64    69  -0.01100 -1.0 2.0
   58    60   -64    69   0.28050  1.0 3.0
   58    60    65    66  -0.11600  1.0 1.0
   58    60    65    66  -0.09450 -1.0 2.0
   58    60    65    66   0.21250  1.0 3.0
   58    62    67    68   3.04450 -1.0 2.0
   58    62    67    71   1.49850  1.0 1.0
   58    62    67    71   1.53950 -1.0 2.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    60    65   0.23400  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    67   0.00000  1.0 1.0
   60    58    62    63   0.00000  1.0 1.0
   60    58    62    67  -0.43950  1.0 1.0
   60    58    62    67  -0.08100 -1.0 2.0
   60    58    62    67   0.03350  1.0 3.0
   60    64    69    70   0.37050  1.0 3.0
   60    64    69    75   0.06250  1.0 1.0
   60    64    69    75  -0.01100 -1.0 2.0
   60    64    69    75   0.28050  1.0 3.0
   60    64    69    77   0.06250  1.0 1.0
   60    64    69    77  -0.01100 -1.0 2.0
   60    64    69    77   0.28050  1.0 3.0
   61    60    64    69   0.37050  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   64    60    65    66  -0.50000  1.0 1.0
   64    60    65    66  -0.73950 -1.0 2.0
   64    60    65    66   0.17150  1.0 3.0
   64    69   -75    54   0.62750  1.0 1.0
   64    69   -75    54  -0.30950 -1.0 2.0
   64    69   -75    54   0.27300  1.0 3.0
   64    69    75    76   0.23400  1.0 3.0
   64    69    75    80   1.11900  1.0 1.0
   64    69    75    80  -1.16350 -1.0 2.0
   64    69    75    80  -0.34150  1.0 3.0
   64    69    77    78   0.23400  1.0 3.0
   64    69    77    79   0.23400  1.0 3.0
   64    69    77    81   3.69350  1.0 1.0
   64    69    77    81  -1.82950 -1.0 2.0
   69    75    80    83   0.37500  1.0 3.0
   69    77    81    82  -0.11600  1.0 1.0
   69    77    81    82  -0.09450 -1.0 2.0
   69    77    81    82   0.21250  1.0 3.0
   70    69    75    54   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    80   0.23400  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    81   0.23400  1.0 3.0
   75    54    58    59   0.15000  1.0 3.0
   75    54   -58    60   3.97050  1.0 1.0
   75    54    58    62  -0.27100  1.0 1.0
   75    54    58    62  -0.01700 -1.0 2.0
   75    54    58    62  -0.48600  1.0 3.0
   75    69    77    78   0.15000  1.0 3.0
   75    69    77    79   0.15000  1.0 3.0
   75    69    77    81   0.86500  1.0 1.0
   75    69    77    81  -0.17500 -1.0 2.0
   75    69    77    81   0.20800  1.0 3.0
   75    80    83    84   0.29800  1.0 3.0
   75    80    83    85   0.29800  1.0 3.0
   75    80    83    86   0.00000  1.0 1.0
   76    75    80    83   0.00000  1.0 1.0
   80    83    86    87   0.00000  1.0 1.0
   84    83    86    87   0.67600  1.0 1.0
   84    83    86    87   0.52900 -1.0 2.0
   84    83    86    87   0.12800  1.0 3.0
   85    83    86    87   0.67600  1.0 1.0
   85    83    86    87   0.52900 -1.0 2.0
   85    83    86    87   0.12800  1.0 3.0
   77    69    75    54   0.56750  1.0 1.0
   77    69    75    54  -0.07550 -1.0 2.0
   77    69    75    54   0.20000  1.0 3.0
   77    69    75    76   0.15000  1.0 3.0
   77    69    75    80   0.62750  1.0 1.0
   77    69    75    80  -0.30950 -1.0 2.0
   77    69    75    80   0.27300  1.0 3.0
   78    77    81    82   0.19450  1.0 3.0
   79    77    81    82   0.19450  1.0 3.0
   65    60    64    69  -0.81800  1.0 1.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    64   1.12100  1.0 1.0
   62    58    60    64  -0.16500 -1.0 2.0
   62    58    60    65   2.76900  1.0 1.0
   62    58    60    65  -0.24350 -1.0 2.0
   62    58    60    65  -0.78250  1.0 3.0
   62    67    71    72   0.00000  1.0 1.0
   62    67    71    73   0.00000  1.0 1.0
   62    67    71    74   0.00000  1.0 1.0
   63    62    67    68   2.45000 -1.0 2.0
   63    62    67    71   2.45000 -1.0 2.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   41    38    40    43  -1.11000  1.0 1.0
   41    38    40    43   0.50250 -1.0 2.0
   41    38    40    43   0.47450  1.0 3.0
   42    41    45    46   0.92200  1.0 1.0
   42    41    45    46   3.74100 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   63    67    62    58   1.00000 -1.0 2.0
   62    71    67    68  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
