* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    165    250     474
    1     0 S   NP   _N1_     1    30.30673    97.92355   -25.54503
    2     1 S   H    _HN1     2     1.03475   153.99037  -156.68667
    3     1 S   H    _H1_     3     1.02852    74.77934   -56.22472
    4     1 S   H    _H2_     4     1.02759    49.06051   173.63591
    5     1 S   CT   _CA1     5     1.50057    90.18621    55.44768
    6     5 S   HC   _HA1     6     1.09553   104.87389   105.48083
    7     5 S   CO3  _C1_     7     1.53657   113.35128   -15.08182
    8     7 S   O2Z  _O11     8     1.26387   115.10709   -33.15737
    9     7 S   O2Z  _O12     9     1.26250   114.98691   146.20432
   10     5 S   CT   _CB1    10     1.53032   107.46400  -136.13212
   11    10 S   HC   HB11    11     1.09560   109.45771   -40.35446
   12    10 S   HC   HB12    12     1.09838   110.40871    75.23874
   13    10 S   CT   _CG1    13     1.53246   112.95769  -162.98553
   14    13 S   HC   HG11    14     1.09554   110.87130   -95.14732
   15    13 S   HC   HG12    15     1.09612   111.58070    24.08526
   16    13 S   C    _CD1    16     1.51543   109.45377   144.79087
   17    16 S   O    _OE1    17     1.22793   121.85317    86.53092
   18    16 S   N    _N2_    18     1.38595   112.49845   -90.25704
   19    18 S   H    _HN2    19     1.01573   119.13581    -4.19969
   20    18 S   CT1  _CA2    20     1.46211   123.55054   173.25267
   21    20 S   HC   _HA2    21     1.09724   109.16263    -8.25797
   22    20 S   C    _C2_    22     1.53806   109.29121  -123.86967
   23    22 S   O    _O2_    23     1.23070   121.92933  -160.26451
   24    20 S   CT   _CB2    32     1.53484   111.56340   113.99662
   25    24 S   HC   HB21    33     1.09583   109.88619    54.38400
   26    24 S   HC   HB22    34     1.09455   110.35891   173.48103
   27    22 S   N    _N3_    24     1.38244   114.28060    26.09594
   28    27 S   H    _HN3    25     1.01429   119.18129    -1.66107
   29    24 S   S    _SG2    35     1.82650   111.62443   -66.53263
   30    27 S   CT   _CA3    26     1.45326   123.42197   178.33282
   31    30 S   HC   HA31    27     1.09551   107.29687   -68.37038
   32    30 S   HC   HA32    28     1.09561   108.13036    47.99013
   33    29 S   CT   _C19    36     1.84217    99.69451   171.06471
   34    33 S   HC   _H6_    37     1.09333   106.68886   -48.09559
   35    30 S   CO3  _C3_    29     1.53044   114.32809   170.06888
   36    35 S   O2Z  _O31    30     1.26442   116.30666    -4.29313
   37    35 S   O2Z  _O32    31     1.26398   114.45441   175.79481
   38    33 S   CM   _C18    38     1.50953   109.25062    72.53766
   39    38 S   HC   _H18    39     1.09024   116.21206    42.93177
   40    33 S   CT   _C20    87     1.53210   109.32750  -167.02037
   41    40 S   HC   _H19    88     1.09882   110.75287   -55.36977
   42    40 S   HC   _H20    89     1.09910   109.30650  -171.88903
   43    38 S   CM   _C17    40     1.34337   127.45395  -138.27232
   44    43 S   HC   _H17    41     1.08887   117.19859  -179.71745
   45    40 S   CO3  _C21    90     1.53323   115.49827    69.71028
   46    45 S   O2Z  _O36    91     1.26435   114.44965  -148.51780
   47    45 S   O2Z  _O35    92     1.26220   116.13069    32.68048
   48    43 S   CM   _C16    42     1.44546   126.59591    -1.43040
   49    48 S   HC   _H16    43     1.08551   118.20443     1.58066
   50    48 S   CM   _C15    44     1.34230   122.86248  -177.29694
   51    50 S   HC   _H15    45     1.08792   119.72982    -0.83883
   52    50 S   CT   _C14    46     1.50882   123.66818   179.62466
   53    52 S   HC   _H5_    47     1.09850   108.45160    10.50461
   54    52 S   C3T  _C22    48     1.51407   114.31965  -112.53628
   55    52 S   OS   _O34    57     1.44613   106.16395   127.19811
   56    54 S   C3T  _C23    49     1.51433   119.02189   136.88745
   57    56 S   HC   _H21    50     1.08263   119.19263     4.79710
   58    56 S   HC   _H22    51     1.08276   118.86798   152.47424
   59    54 S   CT   _C24    53     1.49906   118.54530   -65.35701
   60    59 S   HC   _H23    54     1.09427   111.05044    57.71982
   61    59 S   HC   _H24    55     1.09459   110.54414   -62.64153
   62    59 S   HC   _H25    56     1.09556   111.68125   177.63628
   63    55 S   CO4  _C13    58     1.36410   117.88553  -149.46890
   64    63 S   O    _O33    59     1.22423   125.95211    -1.47087
   65    54 S   O3T  _O37    52     1.43773   113.62577    71.63311
   66    63 S   CT1  _C12    60     1.52384   109.22439   176.17039
   67    66 S   HC   _H4_    61     1.09682   108.99786    26.54472
   68    66 S   CT   _C5_    62     1.54567   110.86622   -96.62904
   69    68 S   HC   _H3_    63     1.09953   108.16866   -59.43747
   70    66 S   N    _N4_    79     1.46013   105.16608   142.03874
   71    70 S   H    _H26    80     1.01587   117.87907    80.95266
   72    68 S   CA   _C6_    64     1.52280   111.76409    59.47283
   73    68 S   CT   _C4_    75     1.53553   111.68716  -176.29118
   74    73 S   HC   _H7_    76     1.09542   111.87317   -56.83285
   75    73 S   HC   _H8_    77     1.09598   110.93346  -177.20859
   76    73 S   HC   _H9_    78     1.09507   111.02690    63.43088
   77    70 S   C    _C25    81     1.38368   122.77822   -91.77124
   78    77 S   O    _O38    82     1.22777   125.41962    -1.07484
   79    72 S   CA   _C7_    65     1.40393   121.67347    64.27277
   80    79 S   HA   _H10    66     1.08702   120.60330     1.31164
   81    77 S   CT   _C26    83     1.50459   112.52505   177.68827
   82    81 S   HC   _H27    84     1.09384   110.56250    42.78780
   83    81 S   HC   _H28    85     1.09351   109.59734   162.39610
   84    81 S   HC   _H29    86     1.09333   109.33501   -77.75942
   85    79 S   CA   _C8_    67     1.39594   120.64965  -177.93645
   86    85 S   HA   _H11    68     1.08622   119.95191   179.71061
   87    85 S   CA   _C9_    69     1.39247   120.08220    -0.05595
   88    87 S   HA   _H12    70     1.08607   120.04524   179.87967
   89    87 S   CA   _C10    71     1.39279   119.91659    -0.11364
   90    89 S   HA   _H13    72     1.08599   119.98702  -179.98022
   91    72 S   CA   _C11    73     1.40343   119.70388  -113.82510
   92    91 S   HA   _H14    74     1.08732   120.52104    -1.44523
  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
  12   7   2   1   1  10   4   6   4   3   6   3   2   1   1   7
   3   9   4  14   6  10   9   7   3   2   4   3   2   1  10   4
   1  15   7  15   8   9   3  13   5   2   1   1   5   4   8   4
   3   2   1   1   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    43  
   42    45    46    47  
   45    46    47  
   44    48    49    50    51    52  
   48    49    50  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52    53    54    56    65    59    55    63  
   52    53    54    55  
   53    54    56    57    58    65    59    60    61    62    55    63    64    66  
   54    56    65    59    55    63  
   56    57    58    65    59    60    61    62    55    63  
   63    64    66    67    68    70    56    59    65  
   57    58    65    59    60    61    62  
   58    65    59  
   65    59  
   60    61    62    65  
   61    62    65  
   62    65  
   65  
   64    66    67    68    69    72    73    70    71    77  
   66    67    68    70  
    0  
   67    68    69    72    79    91    73    74    75    76    70    71    77    78    81  
   68    69    72    73    70    71    77  
   69    72    79    80    85    89    91    92    73    74    75    76    70    71    77  
   72    79    91    73    74    75    76    70  
   71    77    78    81    82    83    84    72    73  
   77    78    81  
   79    80    85    86    87    89    90    91    92    73    74    75    76  
   74    75    76    79    91  
   75    76  
   76  
    0  
   78    81    82    83    84  
   81    82    83    84  
   80    85    86    87    88    89    91    92  
   85    86    87    91  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91    92  
   89    90    91  
   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  -0.335000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.305500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   380.000  1.444
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    65   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    65   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    63   214.000  1.327
   63    64   570.000  1.229
   63    66   255.000  1.522
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   337.000  1.449
   68    69   340.000  1.090
   68    72   317.000  1.510
   68    73   268.000  1.529
   72    79   469.000  1.400
   72    91   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   70    71   434.000  1.010
   70    77   490.000  1.335
   77    78   570.000  1.229
   77    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    48    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    50    70.00000  123.01800
   48    43    44    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    55    85.00000  110.90400
   52    50    51    35.00000  117.00000
   52    54    56    60.00000  120.94000
   52    54    65    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    63    83.00000  116.90000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    65    15.00000   60.43100
   54    65    56    15.00000   59.14900
   54    59    60    45.00000  109.38400
   54    59    61    45.00000  109.38400
   54    59    62    45.00000  109.38400
   58    56    57    35.00000  114.30000
   65    54    56    15.00000   60.43100
   65    56    57    50.00000  114.27700
   65    56    58    50.00000  114.27700
   59    54    56    60.00000  120.94000
   59    54    65    80.00000  116.47100
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    63    64    83.00000  123.40000
   55    63    66    90.00000  109.72300
   63    66    67    45.00000  110.09800
   63    66    68    70.00000  110.61500
   63    66    70    80.00000  110.29000
   66    63    64    75.00000  123.42600
   66    68    69    37.50000  110.70000
   66    68    72    63.00000  114.00000
   66    68    73    58.35000  112.70000
   66    70    71    38.00000  118.40000
   66    70    77    50.00000  121.90000
   68    66    67    37.50000  110.70000
   68    72    79    70.00000  120.00000
   68    72    91    70.00000  120.00000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   72    68    69    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    85    63.00000  120.00000
   72    91    89    63.00000  120.00000
   72    91    92    35.00000  120.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   91    72    79    63.00000  120.00000
   91    89    90    35.00000  120.00000
   73    68    69    37.50000  110.70000
   73    68    72    70.00000  112.17500
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    80.00000  109.70000
   70    77    78    80.00000  122.90000
   70    77    81    70.00000  116.60000
   77    70    71    35.00000  119.80000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   81    77    78    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   47    45    46    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    48    49  -0.18600  1.0 3.0
   38    43    48    50   0.28850  1.0 1.0
   38    43    48    50   2.61350 -1.0 2.0
   38    43    48    50   0.78400  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    50    51   7.00000 -1.0 2.0
   43    48    50    52   7.00000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50  -0.18600  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.09850  1.0 1.0
   48    50    52    54   0.15250 -1.0 2.0
   48    50    52    54  -0.50650  1.0 3.0
   48    50    52    55   0.39000  1.0 1.0
   48    50    52    55  -0.05800 -1.0 2.0
   48    50    52    55  -0.55150  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    52    54    56   0.34400  1.0 1.0
   50    52    54    56   0.09450 -1.0 2.0
   50    52    54    56   0.11100  1.0 3.0
   50    52    54    65   0.61850  1.0 1.0
   50    52    54    65  -0.22750 -1.0 2.0
   50    52    54    65   0.15300  1.0 3.0
   50    52    54    59   0.34400  1.0 1.0
   50    52    54    59   0.09450 -1.0 2.0
   50    52    54    59   0.11100  1.0 3.0
   50    52    55    63  -0.82050  1.0 1.0
   50    52    55    63   0.00600 -1.0 2.0
   50    52    55    63   0.04400  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    65   0.02550  1.0 1.0
   52    54   -56    65  -0.02600 -1.0 2.0
   52    54   -56    65   1.20400  1.0 3.0
   52    54   -65    56   0.06250  1.0 1.0
   52    54   -65    56  -0.01100 -1.0 2.0
   52    54   -65    56   0.28050  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   52    54    59    62   0.15000  1.0 3.0
   52    55    63    64   3.00000 -1.0 2.0
   52    55    63    66   1.63150  1.0 1.0
   52    55    63    66   2.92000 -1.0 2.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    65   0.23400  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    55    63   0.08050  1.0 3.0
   54    52    55    63  -0.25900  1.0 1.0
   54    52    55    63  -0.47000 -1.0 2.0
   54    52    55    63   0.11750  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   57    56   -65    54   0.36800  1.0 3.0
   58    56   -65    54   0.36800  1.0 3.0
   65    54   -56    57   0.23400  1.0 3.0
   65    54   -56    58   0.23400  1.0 3.0
   65    54    59    60   0.23400  1.0 3.0
   65    54    59    61   0.23400  1.0 3.0
   65    54    59    62   0.23400  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54   -56    65   0.02550  1.0 1.0
   59    54   -56    65  -0.02600 -1.0 2.0
   59    54   -56    65   1.20400  1.0 3.0
   59    54   -65    56   0.06250  1.0 1.0
   59    54   -65    56  -0.01100 -1.0 2.0
   59    54   -65    56   0.28050  1.0 3.0
   55    52    54    56  -0.26800  1.0 1.0
   55    52    54    56   0.69150 -1.0 2.0
   55    52    54    56  -0.48750  1.0 3.0
   55    52    54    65   1.11900  1.0 1.0
   55    52    54    65  -1.16350 -1.0 2.0
   55    52    54    65  -0.34150  1.0 3.0
   55    52    54    59   0.62750  1.0 1.0
   55    52    54    59  -0.30950 -1.0 2.0
   55    52    54    59   0.27300  1.0 3.0
   55    63    66    67   0.00000  1.0 1.0
   55    63    66    68   0.36750  1.0 3.0
   55    63    66    70   0.40000  1.0 3.0
   63    66    68    69  -0.03800  1.0 3.0
   63    66    68    72  -0.84850  1.0 1.0
   63    66    68    72  -0.22800 -1.0 2.0
   63    66    68    72   0.29250  1.0 3.0
   63    66    68    73  -0.84850  1.0 1.0
   63    66    68    73  -0.22800 -1.0 2.0
   63    66    68    73   0.29250  1.0 3.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    77  -0.29800  1.0 1.0
   63    66    70    77   0.13950 -1.0 2.0
   63    66    70    77  -2.45650  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    70   0.00000  1.0 1.0
   66    68    72    79   0.00000  1.0 1.0
   66    68    72    91   0.00000  1.0 1.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    70    77    78   3.04450 -1.0 2.0
   66    70    77    81   1.15000  1.0 1.0
   66    70    77    81   3.04450 -1.0 2.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.23100  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    77   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    77   0.25950  1.0 1.0
   68    66    70    77   0.43850 -1.0 2.0
   68    66    70    77   2.61650  1.0 3.0
   68    72    79    80   3.62500 -1.0 2.0
   68    72    79    85   3.62500 -1.0 2.0
   68    72    91    89   3.62500 -1.0 2.0
   68    72    91    92   3.62500 -1.0 2.0
   69    68    72    79   0.00000  1.0 1.0
   69    68    72    91   0.00000  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   72    68    73    74   0.43200  1.0 3.0
   72    68    73    75   0.43200  1.0 3.0
   72    68    73    76   0.43200  1.0 3.0
   72    79    85    86   3.62500 -1.0 2.0
   72    79    85    87   3.62500 -1.0 2.0
   79    72    91    89   3.62500 -1.0 2.0
   79    72    91    92   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   79    85   -87    89   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89   -91    72   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    72   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    72    79    80   3.62500 -1.0 2.0
   91    72   -79    85   3.62500 -1.0 2.0
   73    68    72    79   0.04150 -1.0 2.0
   73    68    72    91   0.04150 -1.0 2.0
   70    66    68    69   0.23200  1.0 3.0
   70    66    68    72   0.42250  1.0 1.0
   70    66    68    72  -0.48100 -1.0 2.0
   70    66    68    72   0.35650  1.0 3.0
   70    66    68    73   0.42250  1.0 1.0
   70    66    68    73  -0.48100 -1.0 2.0
   70    66    68    73   0.35650  1.0 3.0
   70    77    81    82   0.00000  1.0 1.0
   70    77    81    83   0.00000  1.0 1.0
   70    77    81    84   0.00000  1.0 1.0
   71    70    77    78   2.45000 -1.0 2.0
   71    70    77    81   2.45000 -1.0 2.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47   0.00000  1.0 1.0
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    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   43    49    48    50  15.00000 -1.0 2.0
   52    51    50    48  15.00000 -1.0 2.0
   55    66    63    64  10.50000 -1.0 2.0
   79    91    72    68   4.00000 -1.0 2.0
   85    80    79    72   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   89    92    91    72   1.10000 -1.0 2.0
   71    77    70    66   1.00000 -1.0 2.0
   70    81    77    78  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
