* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    166    244     479
    1     0 S   NP   _N1_     1    28.51745    95.93173   -23.51739
    2     1 S   H    _HN1     2     1.02786   104.98939   -86.13685
    3     1 S   H    _H1_     3     1.02950    73.58065    18.99859
    4     1 S   H    _H2_     4     1.02829    36.76385   173.91211
    5     1 S   CT   _CA1     5     1.50110   138.19684   121.46407
    6     5 S   HC   _HA1     6     1.09572   105.19947    89.71407
    7     5 S   CO3  _C1_     7     1.53794   112.47700   -30.53364
    8     7 S   O2Z  _O11     8     1.26373   115.00587   -42.19507
    9     7 S   O2Z  _O12     9     1.26241   114.95227   136.96815
   10     5 S   CT   _CB1    10     1.53084   107.42775  -152.28311
   11    10 S   HC   HB11    11     1.09832   109.39252   -49.61541
   12    10 S   HC   HB12    12     1.09812   110.43778    67.00136
   13    10 S   CT   _CG1    13     1.52986   112.59655  -170.59097
   14    13 S   HC   HG11    14     1.09583   110.62675   -65.38231
   15    13 S   HC   HG12    15     1.09669   109.79086    53.84502
   16    13 S   C    _CD1    16     1.51797   112.25291   174.31852
   17    16 S   O    _OE1    17     1.22726   123.30072     6.62874
   18    16 S   N    _N2_    18     1.38649   111.64478  -173.52038
   19    18 S   H    _HN2    19     1.01580   118.93810     1.95675
   20    18 S   CT1  _CA2    20     1.46192   123.39934   177.62331
   21    20 S   HC   _HA2    21     1.09739   109.40053     2.07924
   22    20 S   C    _C2_    22     1.53551   108.68644  -113.41439
   23    22 S   O    _O2_    23     1.23058   122.26123  -148.64153
   24    20 S   CT   _CB2    32     1.53383   111.49308   124.15564
   25    24 S   HC   HB21    33     1.09499   109.75977    56.06588
   26    24 S   HC   HB22    34     1.09406   109.64772   174.90053
   27    22 S   N    _N3_    24     1.38314   113.72740    38.83323
   28    27 S   H    _HN3    25     1.01585   119.59068    -3.36982
   29    24 S   S    _SG2    35     1.83019   111.19665   -65.74031
   30    27 S   CT   _CA3    26     1.45284   123.19983   177.11853
   31    30 S   HC   HA31    27     1.09550   107.51129   -64.58446
   32    30 S   HC   HA32    28     1.09557   107.98633    51.85547
   33    29 S   CT   _C16    36     1.85350   101.58401   166.03369
   34    30 S   CO3  _C3_    29     1.52952   114.07706   173.85034
   35    34 S   O2Z  _O31    30     1.26377   116.06887    -0.67027
   36    34 S   O2Z  _O32    31     1.26428   114.41412   179.38994
   37    33 S   CT   _C15    37     1.55107   113.07152    57.78949
   38    37 S   HC   _H37    38     1.09836   108.12889   -54.22434
   39    33 S   CT   _C18    89     1.54055   105.69925  -177.29029
   40    39 S   HC   _H41    90     1.09782   111.41139    61.85430
   41    39 S   HC   _H42    91     1.09538   112.43810   -58.97639
   42    39 S   HC   _H43    92     1.09565   111.66623  -179.74821
   43    37 S   CT   _C14    39     1.56388   112.29544  -171.11454
   44    43 S   HC   _H36    40     1.09940   108.52224   -74.11931
   45    37 S   CO4  _C13    76     1.52342   112.58514    64.10939
   46    45 S   O    _O26    77     1.22366   124.64706    76.87408
   47    43 S   CA   _C8_    41     1.53114   110.00203   168.43757
   48    43 S   CM   _C10    54     1.52431   111.71582    42.35634
   49    45 S   OS   _O29    78     1.36409   109.50458  -103.87809
   50    47 S   CA   _C5_    42     1.40453   119.62607   113.72873
   51    50 S   HA   _H33    43     1.08774   120.39382     0.02798
   52    48 S   CM   _C11    55     1.35119   122.21526   -15.65675
   53    48 S   CO4  _C12    62     1.48034   116.94941   166.24908
   54    53 S   O    _O25    63     1.22097   123.60143    65.27396
   55    49 S   CT   _C24    79     1.44083   117.43066  -178.21370
   56    55 S   HC   _H57    80     1.09655   110.20513   -37.63715
   57    50 S   CA   _C4_    44     1.39675   120.82220  -179.84298
   58    57 S   HA   _H32    45     1.08666   119.76921   179.88809
   59    33 S   NE   _N22    56     1.45777   108.46329   -62.18521
   60    59 S   H    _H58    57     1.01553   117.22737   -34.30006
   61    52 S   CT   _C17    58     1.50720   124.66356  -179.29668
   62    61 S   HC   _H38    59     1.09593   110.18972   128.90316
   63    61 S   HC   _H39    60     1.09307   113.65283     9.29115
   64    61 S   HC   _H40    61     1.09510   109.94978  -111.90299
   65    53 S   OS   _O28    64     1.35792   108.77788  -111.48787
   66    55 S   CT   _C19    81     1.52391   109.24568    83.90630
   67    66 S   HC   _H44    82     1.09570   110.94636    55.89847
   68    66 S   HC   _H45    83     1.09421   111.23940   177.13269
   69    66 S   HC   _H46    84     1.09493   110.82278   -62.27693
   70    55 S   CT   _C20    85     1.52286   107.09170  -155.79294
   71    70 S   HC   _H47    86     1.09573   111.06296   -58.63903
   72    70 S   HC   _H48    87     1.09415   111.34817   180.00000
   73    70 S   HC   _H49    88     1.09553   110.29757    59.33729
   74    57 S   CA   _C6_    46     1.39339   120.32770    -0.07913
   75    74 S   HA   _H34    47     1.08643   118.85646   179.75934
   76    65 S   CT   _C22    65     1.43741   115.47581   175.33864
   77    76 S   HC   _H53    66     1.09603   109.29483   -53.14619
   78    76 S   HC   _H54    67     1.09504   108.66799    67.20767
   79    74 S   CA   _C9_    48     1.39672   119.12397     0.03956
   80    76 S   CT   _C23    68     1.52102   108.19221  -173.33862
   81    80 S   HC   _H55    69     1.09589   110.36081   -49.62917
   82    80 S   HC   _H56    70     1.09530   109.77973  -170.74558
   83    47 S   CA   _C7_    49     1.40542   121.57295   -66.11431
   84    83 S   HA   _H35    50     1.08763   119.38857    -0.88669
   85    79 S   NO2  _N23    51     1.45909   119.45805  -179.95577
   86    85 S   ON   _O24    52     1.23872   117.73988  -160.80101
   87    85 S   ON   _O27    53     1.23877   117.71105    19.02196
   88    80 S   OS   _O30    71     1.42924   108.60409    69.99434
   89    88 S   CT   _C21    72     1.42140   111.55689  -179.24619
   90    89 S   HC   _H50    73     1.09294   108.46892  -179.10737
   91    89 S   HC   _H51    74     1.09419   110.43055    61.98235
   92    89 S   HC   _H52    75     1.09423   110.51796   -60.18675
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  12  13
  10   8   4   9   8   2   9   8   6   3   5   1   3   2   1   1
   7   7   3   2   1   3   2   1   1   7   3   7   5   4   5   7
   3   2   4   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    59    60    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    59    60    61    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    83    48    52    59    60    53    45    46    49    55    39    40    41    42  
   43    44    47    48    59    45    46    49    39  
   40    41    42    43    45    52    59    60  
   41    42    59  
   42    59  
   59  
   44    47    50    51    57    79    83    84    48    52    59    61    53    54    65    45    46    49  
   47    50    83    48    52    53    45  
   46    49    55    56    66    70    47    48    59  
   49    55  
   50    51    57    58    74    79    83    84    85    48    52    53  
   52    59    60    61    62    63    64    53    54    65    76    50    83  
   55    56    66    67    68    69    70    71    72    73  
   51    57    58    74    75    79    83    84  
   57    58    74    83  
   59    60    61    62    63    64    53    54    65  
   54    65    76    77    78    80    59    61  
   65    76  
   56    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   58    74    75    79    83    85  
   74    75    79  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   76    77    78    80    81    82    88  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    79    83    84    85    86    87  
   79    83    85  
   77    78    80    81    82    88    89  
   78    80    81    82    88  
   80    81    82    88  
   83    84    85    86    87  
   81    82    88    89    90    91    92  
   82    88    89  
   88    89  
   84    85    86    87  
   85  
   86    87  
   87  
    0  
   89    90    91    92  
   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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   86   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   87   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    59   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    83   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   57    74   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    83   469.000  1.400
   79    85   400.000  1.460
   83    84   367.000  1.080
   85    86   550.000  1.225
   85    87   550.000  1.225
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    59   425.000  1.378
   52    61   317.000  1.510
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   570.000  1.229
   53    65   214.000  1.327
   65    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   320.000  1.410
   88    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    66   268.000  1.529
   55    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    59    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    59    52    50.00000  121.00000
   33    59    60    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    83    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    57    63.00000  120.00000
   47    83    79    63.00000  120.00000
   47    83    84    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    74    63.00000  120.00000
   57    50    51    35.00000  120.00000
   57    74    75    35.00000  120.00000
   57    74    79    63.00000  120.00000
   74    57    58    35.00000  120.00000
   74    79    83    63.00000  120.00000
   74    79    85    85.00000  120.00000
   79    74    75    35.00000  120.00000
   79    83    84    35.00000  120.00000
   79    85    86    80.00000  117.50000
   79    85    87    80.00000  117.50000
   83    47    50    63.00000  120.00000
   85    79    83    85.00000  120.00000
   87    85    86    80.00000  125.30000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    59    70.00000  124.03900
   48    52    61    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    65    90.00000  111.29400
   52    59    60    35.00000  114.50000
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   52    61    64    35.00000  109.50000
   59    33    37    80.00000  111.61500
   61    52    59    75.00000  116.24600
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    65    76    83.00000  116.90000
   65    53    54    83.00000  123.40000
   65    76    77    35.00000  109.50000
   65    76    78    35.00000  109.50000
   65    76    80    50.00000  109.50000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    88    50.00000  109.50000
   78    76    77    33.00000  107.80000
   80    76    77    37.50000  110.70000
   80    76    78    37.50000  110.70000
   80    88    89    60.00000  109.50000
   82    80    81    33.00000  107.80000
   88    80    81    35.00000  109.50000
   88    80    82    35.00000  109.50000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    66    50.00000  109.50000
   49    55    70    50.00000  109.50000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    69    37.50000  110.70000
   55    70    71    37.50000  110.70000
   55    70    72    37.50000  110.70000
   55    70    73    37.50000  110.70000
   66    55    56    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    55    56    37.50000  110.70000
   70    55    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    59    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    59    52  -0.12500  1.0 1.0
   29    33    59    52  -0.12500 -1.0 2.0
   29    33    59    52   0.25000  1.0 3.0
   29    33    59    60  -0.12500  1.0 1.0
   29    33    59    60  -0.12500 -1.0 2.0
   29    33    59    60   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    59    52   0.25450  1.0 1.0
   37    33    59    52  -0.61700 -1.0 2.0
   37    33    59    52  -0.23550  1.0 3.0
   37    33    59    60   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    83   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    57   3.62500 -1.0 2.0
   43    47    83    79   3.62500 -1.0 2.0
   43    47    83    84   3.62500 -1.0 2.0
   43    48    52    59   7.00000 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    65  -0.15000  1.0 1.0
   43    48    53    65   0.89550 -1.0 2.0
   43    48    53    65  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    83   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    57    58   3.62500 -1.0 2.0
   47    50    57    74   3.62500 -1.0 2.0
   50    47    83    79   3.62500 -1.0 2.0
   50    47    83    84   3.62500 -1.0 2.0
   50    57    74    75   3.62500 -1.0 2.0
   50    57   -74    79   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   51    50    57    74   3.62500 -1.0 2.0
   57    74    79    83   3.62500 -1.0 2.0
   57    74    79    85   3.62500 -1.0 2.0
   58    57    74    75   3.62500 -1.0 2.0
   58    57    74    79   3.62500 -1.0 2.0
   74    79   -83    47   3.62500 -1.0 2.0
   74    79    83    84   3.62500 -1.0 2.0
   74    79    85    86   0.69950 -1.0 2.0
   74    79    85    87   0.69950 -1.0 2.0
   75    74    79    83   3.62500 -1.0 2.0
   75    74    79    85   3.62500 -1.0 2.0
   83    47    50    51   3.62500 -1.0 2.0
   83    47   -50    57   3.62500 -1.0 2.0
   83    79    85    86   0.69950 -1.0 2.0
   83    79    85    87   0.69950 -1.0 2.0
   85    79    83    47   3.62500 -1.0 2.0
   85    79    83    84   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    83   0.18050 -1.0 2.0
   48    52   -59    33  -0.54700  1.0 1.0
   48    52   -59    33   1.23000 -1.0 2.0
   48    52    59    60   1.00000 -1.0 2.0
   48    52    61    62   0.00000  1.0 1.0
   48    52    61    63   0.00000  1.0 1.0
   48    52    61    64   0.00000  1.0 1.0
   48    53    65    76   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    65  -0.56150  1.0 1.0
   52    48    53    65   2.19150 -1.0 2.0
   59    33    37    38   0.22950  1.0 3.0
   59    33   -37    43   1.26750  1.0 1.0
   59    33   -37    43  -0.00950 -1.0 2.0
   59    33   -37    43   0.30600  1.0 3.0
   59    33    37    45  -2.10200  1.0 1.0
   59    33    37    45  -0.31600 -1.0 2.0
   59    33    37    45   0.13050  1.0 3.0
   59    33    39    40   0.22950  1.0 3.0
   59    33    39    41   0.22950  1.0 3.0
   59    33    39    42   0.22950  1.0 3.0
   59    52    61    62  -0.18050  1.0 3.0
   59    52    61    63  -0.18050  1.0 3.0
   59    52    61    64  -0.18050  1.0 3.0
   61    52    59    33   1.00000 -1.0 2.0
   61    52    59    60   2.40850 -1.0 2.0
   53    48    52    59   7.00000 -1.0 2.0
   53    48    52    61   7.00000 -1.0 2.0
   53    65    76    77   0.08050  1.0 3.0
   53    65    76    78   0.08050  1.0 3.0
   53    65    76    80  -0.25900  1.0 1.0
   53    65    76    80  -0.47000 -1.0 2.0
   53    65    76    80   0.11750  1.0 3.0
   54    53    65    76   3.00000 -1.0 2.0
   65    76    80    81   0.23400  1.0 3.0
   65    76    80    82   0.23400  1.0 3.0
   65    76    80    88   1.11900  1.0 1.0
   65    76    80    88  -1.16350 -1.0 2.0
   65    76    80    88  -0.34150  1.0 3.0
   76    80    88    89   0.06250  1.0 1.0
   76    80    88    89  -0.01100 -1.0 2.0
   76    80    88    89   0.28050  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    88   0.23400  1.0 3.0
   78    76    80    81   0.15000  1.0 3.0
   78    76    80    82   0.15000  1.0 3.0
   78    76    80    88   0.23400  1.0 3.0
   80    88    89    90   0.37050  1.0 3.0
   80    88    89    91   0.37050  1.0 3.0
   80    88    89    92   0.37050  1.0 3.0
   81    80    88    89   0.37050  1.0 3.0
   82    80    88    89   0.37050  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    66  -0.25900  1.0 1.0
   45    49    55    66  -0.47000 -1.0 2.0
   45    49    55    66   0.11750  1.0 3.0
   45    49    55    70  -0.25900  1.0 1.0
   45    49    55    70  -0.47000 -1.0 2.0
   45    49    55    70   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    66    67   0.23400  1.0 3.0
   49    55    66    68   0.23400  1.0 3.0
   49    55    66    69   0.23400  1.0 3.0
   49    55    70    71   0.23400  1.0 3.0
   49    55    70    72   0.23400  1.0 3.0
   49    55    70    73   0.23400  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    69   0.15000  1.0 3.0
   56    55    70    71   0.15000  1.0 3.0
   56    55    70    72   0.15000  1.0 3.0
   56    55    70    73   0.15000  1.0 3.0
   66    55    70    71   0.15000  1.0 3.0
   66    55    70    72   0.15000  1.0 3.0
   66    55    70    73   0.15000  1.0 3.0
   70    55    66    67   0.15000  1.0 3.0
   70    55    66    68   0.15000  1.0 3.0
   70    55    66    69   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    59    52   0.25450  1.0 1.0
   39    33    59    52  -0.61700 -1.0 2.0
   39    33    59    52  -0.23550  1.0 3.0
   39    33    59    60   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   50    83    47    43   4.00000 -1.0 2.0
   57    51    50    47   1.10000 -1.0 2.0
   74    58    57    50   1.10000 -1.0 2.0
   79    75    74    57   1.10000 -1.0 2.0
   83    85    79    74   4.00000 -1.0 2.0
   79    84    83    47   1.10000 -1.0 2.0
   87    79    85    86  10.50000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   61    59    52    48   1.10000 -1.0 2.0
   60    52    59    33   1.00000 -1.0 2.0
   48    65    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
