* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    165    242     480
    1     0 S   NP   _N1_     1    28.55242    98.17093   -19.64272
    2     1 S   H    _HN1     2     1.02776    91.31942  -129.83128
    3     1 S   H    _H1_     3     1.02957    68.67522   -20.63228
    4     1 S   H    _H2_     4     1.02835    49.59325   117.58917
    5     1 S   CT   _CA1     5     1.50134   154.46211    72.25991
    6     5 S   HC   _HA1     6     1.09576   105.20635    94.54681
    7     5 S   CO3  _C1_     7     1.53781   112.35349   -25.62496
    8     7 S   O2Z  _O11     8     1.26367   114.99551   -43.93239
    9     7 S   O2Z  _O12     9     1.26235   114.92974   135.12441
   10     5 S   CT   _CB1    10     1.53093   107.41724  -147.55746
   11    10 S   HC   HB11    11     1.09828   109.31363   -50.46787
   12    10 S   HC   HB12    12     1.09816   110.43685    66.08272
   13    10 S   CT   _CG1    13     1.53023   112.68192  -171.53367
   14    13 S   HC   HG11    14     1.09593   110.49926   -64.78351
   15    13 S   HC   HG12    15     1.09659   109.90861    54.42021
   16    13 S   C    _CD1    16     1.51847   112.29785   174.77678
   17    16 S   O    _OE1    17     1.22751   123.27402     1.05313
   18    16 S   N    _N2_    18     1.38545   111.72385  -178.93027
   19    18 S   H    _HN2    19     1.01555   119.10550     4.09778
   20    18 S   CT1  _CA2    20     1.45902   122.90079   177.86164
   21    20 S   HC   _HA2    21     1.09716   108.97512    24.62747
   22    20 S   C    _C2_    22     1.52907   106.62404   -92.61851
   23    22 S   O    _O2_    23     1.23023   122.88698   -29.59807
   24    20 S   CT   _CB2    32     1.53318   112.31702   147.94036
   25    24 S   HC   HB21    33     1.09374   109.44173    55.94927
   26    24 S   HC   HB22    34     1.09344   109.37454   174.50360
   27    22 S   N    _N3_    24     1.38475   112.80246   153.02940
   28    27 S   H    _HN3    25     1.01678   120.41043    -1.13090
   29    24 S   S    _SG2    35     1.82765   110.70729   -64.77957
   30    27 S   CT   _CA3    26     1.45363   122.26096   178.52435
   31    30 S   HC   HA31    27     1.09577   107.40423   -63.73030
   32    30 S   HC   HA32    28     1.09577   107.96140    52.52514
   33    29 S   CT   _C18    36     1.86262   102.55001  -176.20873
   34    33 S   OM   _O37    37     1.32184   108.15353   171.67447
   35    30 S   CO3  _C3_    29     1.52849   114.56498   174.51373
   36    35 S   O2Z  _O31    30     1.26290   116.14283    -3.98212
   37    35 S   O2Z  _O32    31     1.26466   114.35831   176.15040
   38    33 S   CM   _C13    38     1.56576   114.14796    51.11185
   39    38 S   CT   _C14    39     1.57961   113.03579  -131.55268
   40    38 S   CMA  _C12    69     1.38070   127.26600    50.32387
   41    40 S   OM   _O42    70     1.26821   129.02082  -173.31657
   42    39 S   CT   _C15    40     1.53611   110.79248   -39.39205
   43    42 S   HC   _H14    41     1.09822   110.09816   -61.51042
   44    42 S   HC   _H15    42     1.09637   111.01719  -178.22966
   45    39 S   CT   _C19    48     1.54413   110.27786    89.12728
   46    45 S   HC   _H18    49     1.09168   111.91510   -48.35307
   47    45 S   HC   _H19    50     1.09790   110.58282    69.52064
   48    39 S   OH   _O41    67     1.44321   111.93653  -152.68809
   49    48 S   HO   _H26    68     0.97423   107.49809   -45.41213
   50    40 S   CT   _C11    71     1.53346   123.24709     7.35695
   51    50 S   HC   _H12    72     1.10132   112.58928  -159.94026
   52    50 S   HC   _H13    73     1.08720   112.40871   -43.68746
   53    42 S   CO4  _C16    43     1.49937   113.43099    58.98612
   54    53 S   O    _O36    44     1.23174   121.17139   154.79728
   55    45 S   CO4  _C20    51     1.52354   114.14554  -171.05266
   56    55 S   O    _O38    52     1.23080   121.00905   -64.72068
   57    50 S   CO4  _C10    74     1.53036   112.57690    79.92523
   58    57 S   O    _O35    75     1.23216   123.02960    38.28994
   59    33 S   CT   _C17    45     1.55505   103.83177   -75.34345
   60    59 S   HC   _H16    46     1.09495   112.36874    52.82473
   61    59 S   HC   _H17    47     1.10123   111.71989   -66.68873
   62    55 S   CT   _C21    53     1.53198   115.79468   116.34775
   63    62 S   HC   _H20    54     1.09806   107.68644   -47.66558
   64    62 S   HC   _H21    55     1.09911   107.73041    66.29901
   65    57 S   CT   _C9_    76     1.51295   116.57638  -145.43846
   66    65 S   HC   _H10    77     1.09422   108.69477    46.36751
   67    65 S   HC   _H11    78     1.09558   108.22111   163.11609
   68    62 S   CMA  _C22    56     1.52619   113.18061  -168.63710
   69    68 S   OM   _O40    57     1.26212   111.50133   -98.55346
   70    65 S   CO4  _C8_    79     1.51182   114.56813   -75.92444
   71    70 S   O    _O34    80     1.22991   122.04361    -6.12868
   72    68 S   CM   _C23    58     1.35182   115.97730    82.77234
   73    72 S   HC   _H22    59     1.08759   119.26552    -1.07992
   74    70 S   CT   _C7_    81     1.51427   115.78072   177.18958
   75    74 S   HC   _H8_    82     1.09500   109.19623   -37.51409
   76    74 S   HC   _H9_    83     1.09507   106.90915    80.06205
   77    72 S   CO4  _C24    60     1.49113   124.21827   179.38770
   78    77 S   O    _O39    61     1.22193   125.18480    -1.08498
   79    74 S   CO4  _C6_    84     1.51463   115.71392  -158.16148
   80    79 S   O    _O33    85     1.23005   122.04409    28.91940
   81    77 S   S    _S1_    62     1.76486   112.27345   179.00968
   82    79 S   CT   _C5_    86     1.51970   115.76735  -153.91698
   83    82 S   HC   _H6_    87     1.09505   108.18705    59.55209
   84    82 S   HC   _H7_    88     1.09504   108.12735   -58.03851
   85    81 S   CT   _C25    63     1.80572   100.27733  -179.39251
   86    85 S   HC   _H23    64     1.09324   109.27280   179.88809
   87    85 S   HC   _H24    65     1.09339   110.53555    60.55884
   88    85 S   HC   _H25    66     1.09338   110.53908   -60.78382
   89    82 S   CT   _C4_    89     1.51806   112.74111  -179.33973
   90    89 S   HC   _H3_    90     1.09504   111.05263    60.26263
   91    89 S   HC   _H4_    91     1.09433   110.38335  -179.73756
   92    89 S   HC   _H5_    92     1.09504   111.04322   -59.71178
  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   9   5   4   3
  14   7   2   1   1  20  17  11   4  13   6   5  11   5   4   3
   1   8   4   3   4   3   7   4   7   4   2   1   1   7   4   3
   8   4   3   6   3   7   4   5   3   8   4   3   6   2   8   4
   4   6   5   4   3   2   1   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    45    46    47    55    56    62    48    49    40    41    50  
   41    50    51    52    57    58    65    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    45    46    47    55    48    49  
   44    53    54    59    45    48  
   53    54    59    45    48  
   46    47    55    56    62    63    64    68    48    49    53  
   47    55    56    62    48  
   55    56    62    48  
   49    53    55  
    0  
   51    52    57    58    65    66    67    70  
   52    57    58    65  
   57    58    65  
   54    59    60    61  
   59    60    61  
   56    62    63    64    68    69    72  
   62    63    64    68  
   58    65    66    67    70    71    74  
   65    66    67    70  
   60    61  
   61  
    0  
   63    64    68    69    72    73    77  
   64    68    69    72  
   68    69    72  
   66    67    70    71    74    75    76    79  
   67    70    71    74  
   70    71    74  
   69    72    73    77    78    81  
   72    73    77  
   71    74    75    76    79    80    82  
   74    75    76    79  
   73    77    78    81    85  
   77    78    81  
   75    76    79    80    82    83    84    89  
   76    79    80    82  
   79    80    82  
   78    81    85    86    87    88  
   81    85  
   80    82    83    84    89    90    91    92  
   82    83    84    89  
   85    86    87    88  
   83    84    89    90    91    92  
   84    89    90    91    92  
   89    90    91    92  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   317.000  1.510
   33    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   317.000  1.522
   53    54   570.000  1.229
   53    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   270.000  1.512
   68    69   745.000  1.250
   68    72   465.000  1.376
   72    73   340.000  1.080
   72    77   320.000  1.462
   77    78   570.000  1.229
   77    81   210.000  1.799
   81    85   222.000  1.810
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   317.000  1.522
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   317.000  1.522
   79    80   570.000  1.229
   79    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    63.00000  111.10000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    80.00000  120.40000
   42    53    59    70.00000  116.00000
   44    42    43    33.00000  107.80000
   53    42    43    35.00000  109.50000
   53    42    44    35.00000  109.50000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    80.00000  120.40000
   61    59    60    33.00000  107.80000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    62    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    68    70.00000  109.06800
   62    55    56    80.00000  120.40000
   62    68    69    85.00000  112.85300
   62    68    72    65.00000  122.18000
   64    62    63    33.00000  107.80000
   68    62    63    45.00000  110.52000
   68    62    64    45.00000  110.52000
   68    72    73    40.00000  120.50800
   68    72    77    60.00000  125.92000
   72    68    69    65.00000  137.10300
   72    77    78    80.00000  123.72100
   72    77    81    65.00000  119.00000
   77    72    73    40.00000  117.72500
   77    81    85    90.00000   96.72000
   81    77    78    80.00000  121.30200
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    65    66    35.00000  109.50000
   57    65    67    35.00000  109.50000
   57    65    70    75.00000  107.99600
   65    57    58    80.00000  120.40000
   65    70    71    80.00000  120.40000
   65    70    74    70.00000  116.00000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    79    75.00000  107.99600
   74    70    71    80.00000  120.40000
   74    79    80    80.00000  120.40000
   74    79    82    70.00000  116.00000
   76    74    75    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    76    35.00000  109.50000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    89    63.00000  111.10000
   82    79    80    80.00000  120.40000
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    92    37.50000  110.70000
   84    82    83    33.00000  107.80000
   89    82    83    37.50000  110.70000
   89    82    84    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53  -0.09450  1.0 1.0
   34    33    59    53  -1.12950 -1.0 2.0
   34    33    59    53   0.54000  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53  -0.98800  1.0 1.0
   38    33    59    53   0.48800 -1.0 2.0
   38    33    59    53   0.76800  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53  -0.98800  1.0 1.0
   38    39   -42    53   0.48800 -1.0 2.0
   38    39   -42    53   0.76800  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.30150 -1.0 2.0
   39    42    53    59   0.60050  1.0 1.0
   39    42    53    59   0.05600 -1.0 2.0
   39    42    53    59   0.26150  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    62   0.60050  1.0 1.0
   39    45    55    62   0.05600 -1.0 2.0
   39    45    55    62   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.60050  1.0 1.0
   42    53   -59    33   0.05600 -1.0 2.0
   42    53   -59    33   0.26150  1.0 3.0
   42    53    59    60   0.00000  1.0 1.0
   42    53    59    61   0.00000  1.0 1.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    59   0.00000  1.0 1.0
   44    42    53    54   0.00000  1.0 1.0
   44    42    53    59   0.00000  1.0 1.0
   54    53    59    33   0.30150 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53  -0.95700  1.0 1.0
   45    39    42    53  -0.18200 -1.0 2.0
   45    39    42    53   0.29450  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    62    63   0.00000  1.0 1.0
   45    55    62    64   0.00000  1.0 1.0
   45    55    62    68   0.65300  1.0 1.0
   45    55    62    68  -0.03850 -1.0 2.0
   45    55    62    68   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    62   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    62   0.00000  1.0 1.0
   55    62    68    69   0.09700  1.0 1.0
   55    62    68    69   0.15600 -1.0 2.0
   55    62    68    69  -0.50800  1.0 3.0
   55    62    68    72  -0.51250  1.0 1.0
   55    62    68    72  -0.88800 -1.0 2.0
   55    62    68    72   0.08850  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    68   0.30150 -1.0 2.0
   62    68    72    73   7.00000 -1.0 2.0
   62    68    72    77   7.00000 -1.0 2.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    72   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    72   0.00000  1.0 1.0
   68    72    77    78   1.00000 -1.0 2.0
   68    72    77    81   0.50400  1.0 1.0
   68    72    77    81   1.60000 -1.0 2.0
   68    72    77    81  -0.01800  1.0 3.0
   69    68    72    73   7.00000 -1.0 2.0
   69    68    72    77   7.00000 -1.0 2.0
   72    77    81    85  -0.11550  1.0 1.0
   72    77    81    85   1.88700 -1.0 2.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    81   0.92800 -1.0 2.0
   77    81    85    86   0.24000  1.0 3.0
   77    81    85    87   0.24000  1.0 3.0
   77    81    85    88   0.24000  1.0 3.0
   78    77    81    85  -0.11550  1.0 1.0
   78    77    81    85   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53  -0.09450  1.0 1.0
   48    39    42    53  -1.12950 -1.0 2.0
   48    39    42    53   0.54000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    65   0.65300  1.0 1.0
   40    50    57    65  -0.03850 -1.0 2.0
   40    50    57    65   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    65    66   0.00000  1.0 1.0
   50    57    65    67   0.00000  1.0 1.0
   50    57    65    70   0.65300  1.0 1.0
   50    57    65    70  -0.03850 -1.0 2.0
   50    57    65    70   0.33900  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    65   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    65   0.00000  1.0 1.0
   57    65    70    71   0.30150 -1.0 2.0
   57    65    70    74   0.65300  1.0 1.0
   57    65    70    74  -0.03850 -1.0 2.0
   57    65    70    74   0.33900  1.0 3.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    67   0.00000  1.0 1.0
   58    57    65    70   0.30150 -1.0 2.0
   65    70    74    75   0.00000  1.0 1.0
   65    70    74    76   0.00000  1.0 1.0
   65    70    74    79   0.65300  1.0 1.0
   65    70    74    79  -0.03850 -1.0 2.0
   65    70    74    79   0.33900  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    74   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    74   0.00000  1.0 1.0
   70    74    79    80   0.30150 -1.0 2.0
   70    74    79    82   0.65300  1.0 1.0
   70    74    79    82  -0.03850 -1.0 2.0
   70    74    79    82   0.33900  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   71    70    74    79   0.30150 -1.0 2.0
   74    79    82    83   0.00000  1.0 1.0
   74    79    82    84   0.00000  1.0 1.0
   74    79    82    89   0.60050  1.0 1.0
   74    79    82    89   0.05600 -1.0 2.0
   74    79    82    89   0.26150  1.0 3.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    82   0.00000  1.0 1.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    82   0.00000  1.0 1.0
   79    82    89    90  -0.11250  1.0 3.0
   79    82    89    91  -0.11250  1.0 3.0
   79    82    89    92  -0.11250  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    89   0.30150 -1.0 2.0
   83    82    89    90   0.15000  1.0 3.0
   83    82    89    91   0.15000  1.0 3.0
   83    82    89    92   0.15000  1.0 3.0
   84    82    89    90   0.15000  1.0 3.0
   84    82    89    91   0.15000  1.0 3.0
   84    82    89    92   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    59    53    54  10.50000 -1.0 2.0
   45    62    55    56  10.50000 -1.0 2.0
   62    69    68    72  15.00000 -1.0 2.0
   77    73    72    68  15.00000 -1.0 2.0
   72    81    77    78  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    65    57    58  10.50000 -1.0 2.0
   65    74    70    71  10.50000 -1.0 2.0
   74    82    79    80  10.50000 -1.0 2.0
END
