* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    159    242     464
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02029    99.77256    21.02933
    3     1 S   H    _H1_     3     1.02118    37.16064   129.17261
    4     1 S   H    _H2_     4     1.02122    78.25241   -86.21221
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.84679    97.37154  -159.98538
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C14    37     1.53850   108.04972  -160.03196
   38    37 S   O    _O24    38     1.22553   125.50076   124.39393
   39    33 S   CT   _C22    76     1.53648   106.70815    82.79312
   40    39 S   HC   _H49    77     1.09604   112.54511   -63.51084
   41    39 S   HC   _H50    78     1.09753   110.97075    56.36925
   42    39 S   HC   _H51    79     1.09695   111.56934   175.10571
   43    33 S   CT   _C23    80     1.55283   111.16176   -39.78733
   44    43 S   HC   _H52    81     1.09756   109.54664    60.67391
   45    37 S   OS   _O29    39     1.37212   110.17264   -53.90758
   46    43 S   CT   _C21    82     1.52784   115.75404   -60.56767
   47    46 S   HC   _H46    83     1.09294   111.98781   -57.46941
   48    46 S   HC   _H47    84     1.09612   109.89129  -177.30885
   49    46 S   HC   _H48    85     1.09451   111.91638    65.21142
   50    43 S   OH   _O27    86     1.43134   110.60354   177.50676
   51    50 S   HO   _H53    87     0.96795   106.23866  -173.02450
   52    45 S   CT   _C16    40     1.43370   116.03947   178.35718
   53    52 S   HC   _H36    41     1.07336   108.74122    -0.03956
   54    52 S   CT   _C15    42     1.53151   109.27426  -118.83006
   55    54 S   HC   _H35    43     1.10829   107.06726   163.48061
   56    54 S   CA   _C7_    44     1.50922   110.69205   -75.22694
   57    54 S   OS   _O28    69     1.42566   107.77324    49.12878
   58    56 S   CA   _C8_    45     1.40180   120.08056   -17.88347
   59    57 S   CO4  _C13    70     1.36633   115.72237    84.70802
   60    59 S   O    _O23    71     1.22345   126.11778    -0.08393
   61    58 S   CA   _C5_    46     1.40142   120.66594   179.65965
   62    61 S   HA   _H32    47     1.08742   120.16312  -177.89708
   63    58 S   OS   _O26    59     1.37148   124.42501     0.10087
   64    59 S   CT   _C18    72     1.49807   109.79737   179.93744
   65    64 S   HC   _H37    73     1.09261   109.86932   -89.98496
   66    64 S   HC   _H38    74     1.09311   109.80023   148.06765
   67    64 S   HC   _H39    75     1.09377   109.35096    29.08621
   68    61 S   CA   _C4_    48     1.39446   120.51749     1.77586
   69    68 S   HA   _H31    49     1.08747   119.15109  -179.50742
   70    52 S   CT   _C17    60     1.53846   109.03958   119.35115
   71    68 S   CA   _C6_    50     1.39380   119.90745     0.35166
   72    70 S   CT   _C19    61     1.53794   112.50908  -174.66094
   73    72 S   HC   _H40    62     1.08448   109.20080   180.00000
   74    72 S   HC   _H41    63     1.08396   109.22222    59.98008
   75    72 S   HC   _H42    64     1.08459   109.16658   -60.04229
   76    70 S   CT   _C20    65     1.53828   110.34723   -53.84028
   77    76 S   HC   _H43    66     1.08604   109.31362   179.97202
   78    76 S   HC   _H44    67     1.08513   109.33359    60.03309
   79    76 S   HC   _H45    68     1.08567   109.31241   -60.00494
   80    56 S   CA   _C9_    51     1.40609   122.42437   165.14234
   81    80 S   OS   _O25    52     1.41614   118.42845     0.44850
   82    81 S   CO4  _C12    53     1.39096   122.66343  -179.71196
   83    82 S   O    _O22    54     1.22547   122.04332   179.76261
   84    82 S   CM   _C11    55     1.47197   116.53254    -0.21398
   85    84 S   HC   _H34    56     1.08407   117.46125   179.69868
   86    71 S   CM   _C10    57     1.45349   121.64496   178.88267
   87    86 S   HC   _H33    58     1.08552   118.94253     0.97036
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  14   4   8   3   2   1   8   6  10   5   3   2
   1   1   1  18   8  15   6  13   9  11   5   4   8   4  11   3
   2   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6
   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    41    42    43    44    46    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    52    39    40    41    42    43    44    46    47    48    49    50    51  
   35    36  
   36  
    0  
   38    45    52    53    54    70    39    40    41    42    43    44    46    50  
   45    52    39    43  
   40    41    42    43    44    46    50    45  
   41    42    43  
   42    43  
   43  
   44    46    47    48    49    50    51    45  
   46    47    48    49    50    51  
   52    53    54    55    56    63    70    72    76    57  
   47    48    49    50    51  
   48    49    50  
   49    50  
   50  
   51  
    0  
   53    54    55    56    58    80    63    70    72    73    74    75    76    77    78    79    57    59  
   54    55    56    63    70    72    76    57  
   55    56    58    61    71    80    81    63    70    72    76    57    59    60    64  
   56    58    80    70    57    59  
   58    61    62    68    71    80    81    82    86    63    70    57    59  
   59    60    64    65    66    67    58    70    80  
   61    62    68    69    71    80    81    63    70    72    76  
   60    64    65    66    67  
   64    65    66    67  
   62    68    69    71    80    86    63    70  
   68    69    71    63  
   70    72    73    74    75    76    77    78    79    68    80  
   65    66    67  
   66    67  
   67  
    0  
   69    71    80    81    84    86    87  
   71    80    86  
   72    73    74    75    76    77    78    79  
   80    81    82    84    85    86    87  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    86    87  
   82    83    84    85    86  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.220000   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   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   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   317.000  1.522
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   570.000  1.229
   37    45   214.000  1.327
   45    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    70   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    57   320.000  1.410
   56    58   469.000  1.400
   56    80   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    80   469.000  1.400
   71    86   320.000  1.460
   80    81   450.000  1.364
   81    82   214.000  1.327
   82    83   570.000  1.229
   82    84   320.000  1.462
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   340.000  1.080
   63    70   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    50   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    81.00000  111.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    46    58.35000  112.70000
   33    43    50    50.00000  109.50000
   37    45    52    83.00000  116.90000
   45    37    38    83.00000  123.40000
   45    52    53    35.00000  109.50000
   45    52    54    50.00000  109.50000
   45    52    70    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    70.00000  112.17500
   52    54    57    50.00000  109.50000
   52    70    63    50.00000  109.50000
   52    70    72    58.35000  112.70000
   52    70    76    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    56    58    70.00000  120.00000
   54    56    80    70.00000  120.00000
   54    57    59    83.00000  116.90000
   56    54    55    35.00000  109.50000
   56    58    61    63.00000  120.00000
   56    58    63    70.00000  120.00000
   56    80    71    63.00000  120.00000
   56    80    81    70.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    63    70    75.00000  111.00000
   61    68    69    35.00000  120.00000
   61    68    71    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    71    86    60.00000  120.93500
   71    68    69    35.00000  120.00000
   71    80    81    70.00000  120.00000
   71    86    84    60.00000  123.20500
   71    86    87    40.00000  117.26300
   80    56    58    63.00000  120.00000
   80    81    82    85.00000  115.98000
   81    82    83    83.00000  123.40000
   81    82    84    90.00000  111.29400
   82    84    85    40.00000  117.72500
   82    84    86    65.00000  118.96000
   84    82    83    80.00000  123.72100
   84    86    87    35.00000  120.00000
   86    71    80    60.00000  120.93500
   86    84    85    35.00000  120.00000
   63    58    61    70.00000  120.00000
   63    70    72    50.00000  109.50000
   63    70    76    50.00000  109.50000
   70    52    53    37.50000  110.70000
   70    52    54    58.35000  112.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    85.00000  111.85700
   57    59    60    83.00000  123.40000
   57    59    64    81.00000  111.40000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   64    59    60    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    63.00000  111.10000
   43    33    39    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   43    50    51    55.00000  108.50000
   46    43    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    45   0.40000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    46   0.44750  1.0 1.0
   29    33    43    46  -0.17800 -1.0 2.0
   29    33    43    46   0.20200  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    45    52   1.63150  1.0 1.0
   33    37    45    52   2.92000 -1.0 2.0
   33    43    46    47   0.15000  1.0 3.0
   33    43    46    48   0.15000  1.0 3.0
   33    43    46    49   0.15000  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    33    43    44  -0.11250  1.0 3.0
   37    33    43    46  -0.95700  1.0 1.0
   37    33    43    46  -0.18200 -1.0 2.0
   37    33    43    46   0.29450  1.0 3.0
   37    33    43    50  -0.09450  1.0 1.0
   37    33    43    50  -1.12950 -1.0 2.0
   37    33    43    50   0.54000  1.0 3.0
   37    45    52    53   0.08050  1.0 3.0
   37    45    52    54  -0.25900  1.0 1.0
   37    45    52    54  -0.47000 -1.0 2.0
   37    45    52    54   0.11750  1.0 3.0
   37    45    52    70  -0.25900  1.0 1.0
   37    45    52    70  -0.47000 -1.0 2.0
   37    45    52    70   0.11750  1.0 3.0
   38    37    45    52   3.00000 -1.0 2.0
   45    52    54    55   0.23400  1.0 3.0
   45    52    54    56  -0.64350  1.0 1.0
   45    52    54    56  -0.04200 -1.0 2.0
   45    52    54    56   0.19800  1.0 3.0
   45    52    54    57   1.11900  1.0 1.0
   45    52    54    57  -1.16350 -1.0 2.0
   45    52    54    57  -0.34150  1.0 3.0
   45    52    70    63   1.11900  1.0 1.0
   45    52    70    63  -1.16350 -1.0 2.0
   45    52    70    63  -0.34150  1.0 3.0
   45    52    70    72   0.62750  1.0 1.0
   45    52    70    72  -0.30950 -1.0 2.0
   45    52    70    72   0.27300  1.0 3.0
   45    52    70    76   0.62750  1.0 1.0
   45    52    70    76  -0.30950 -1.0 2.0
   45    52    70    76   0.27300  1.0 3.0
   52    54    56    58   0.04150 -1.0 2.0
   52    54    56    80   0.04150 -1.0 2.0
   52    54    57    59  -0.25900  1.0 1.0
   52    54    57    59  -0.47000 -1.0 2.0
   52    54    57    59   0.11750  1.0 3.0
   52    70    72    73   0.15000  1.0 3.0
   52    70    72    74   0.15000  1.0 3.0
   52    70    72    75   0.15000  1.0 3.0
   52    70    76    77   0.15000  1.0 3.0
   52    70    76    78   0.15000  1.0 3.0
   52    70    76    79   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.43200  1.0 3.0
   53    52    54    57   0.23400  1.0 3.0
   53    52    70    63   0.23400  1.0 3.0
   53    52    70    72   0.15000  1.0 3.0
   53    52    70    76   0.15000  1.0 3.0
   54    52    70    63   0.62750  1.0 1.0
   54    52    70    63  -0.30950 -1.0 2.0
   54    52    70    63   0.27300  1.0 3.0
   54    52    70    72   0.56750  1.0 1.0
   54    52    70    72  -0.07550 -1.0 2.0
   54    52    70    72   0.20000  1.0 3.0
   54    52    70    76   0.56750  1.0 1.0
   54    52    70    76  -0.07550 -1.0 2.0
   54    52    70    76   0.20000  1.0 3.0
   54    56    58    61   3.62500 -1.0 2.0
   54    56   -58    63   3.62500 -1.0 2.0
   54    56    80    71   3.62500 -1.0 2.0
   54    56    80    81   3.62500 -1.0 2.0
   54    57    59    60   3.00000 -1.0 2.0
   54    57    59    64   1.63150  1.0 1.0
   54    57    59    64   2.92000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    80   0.00000  1.0 1.0
   55    54    57    59   0.08050  1.0 3.0
   56    54    57    59  -0.43900 -1.0 2.0
   56    54    57    59   0.14100  1.0 3.0
   56    58    61    62   3.62500 -1.0 2.0
   56    58    61    68   3.62500 -1.0 2.0
   56    58    63    70   1.63200 -1.0 2.0
   56    80    81    82   0.01300  1.0 1.0
   56    80    81    82   0.97950 -1.0 2.0
   56    80    81    82  -0.55700  1.0 3.0
   58    56    80    71   3.62500 -1.0 2.0
   58    56    80    81   3.62500 -1.0 2.0
   58    61    68    69   3.62500 -1.0 2.0
   58    61   -68    71   3.62500 -1.0 2.0
   58    63   -70    52  -0.32850  1.0 1.0
   58    63   -70    52  -0.35800 -1.0 2.0
   58    63   -70    52   0.33950  1.0 3.0
   58    63    70    72  -0.32850  1.0 1.0
   58    63    70    72  -0.35800 -1.0 2.0
   58    63    70    72   0.33950  1.0 3.0
   58    63    70    76  -0.32850  1.0 1.0
   58    63    70    76  -0.35800 -1.0 2.0
   58    63    70    76   0.33950  1.0 3.0
   61    58    63    70   1.63200 -1.0 2.0
   61    68    71    80   3.62500 -1.0 2.0
   61    68    71    86   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    71   3.62500 -1.0 2.0
   68    71   -80    56   3.62500 -1.0 2.0
   68    71    80    81   3.62500 -1.0 2.0
   68    71    86    84   0.15800  1.0 1.0
   68    71    86    84   1.85350 -1.0 2.0
   68    71    86    84  -0.48700  1.0 3.0
   68    71    86    87   0.56550  1.0 3.0
   69    68    71    80   3.62500 -1.0 2.0
   69    68    71    86   3.62500 -1.0 2.0
   71    80    81    82   0.01300  1.0 1.0
   71    80    81    82   0.97950 -1.0 2.0
   71    80    81    82  -0.55700  1.0 3.0
   80    56   -58    61   3.62500 -1.0 2.0
   80    56    58    63   3.62500 -1.0 2.0
   80    71    86    84   0.15800  1.0 1.0
   80    71    86    84   1.85350 -1.0 2.0
   80    71    86    84  -0.48700  1.0 3.0
   80    71    86    87   0.56550  1.0 3.0
   80    81    82    83   3.00000 -1.0 2.0
   80    81   -82    84   2.00000 -1.0 2.0
   81    82    84    85   1.63100 -1.0 2.0
   81    82    84    86  -0.56150  1.0 1.0
   81    82    84    86   2.19150 -1.0 2.0
   82    84   -86    71   7.00000 -1.0 2.0
   82    84    86    87   7.00000 -1.0 2.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   1.00000 -1.0 2.0
   85    84    86    71   7.00000 -1.0 2.0
   85    84    86    87   7.00000 -1.0 2.0
   86    71    80    56   3.62500 -1.0 2.0
   86    71   -80    81   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    68   3.62500 -1.0 2.0
   63    70    72    73   0.23400  1.0 3.0
   63    70    72    74   0.23400  1.0 3.0
   63    70    72    75   0.23400  1.0 3.0
   63    70    76    77   0.23400  1.0 3.0
   63    70    76    78   0.23400  1.0 3.0
   63    70    76    79   0.23400  1.0 3.0
   70    52    54    55   0.15000  1.0 3.0
   70    52   -54    56  -0.03700  1.0 1.0
   70    52   -54    56   0.37200 -1.0 2.0
   70    52   -54    56  -0.47300  1.0 3.0
   70    52    54    57   0.62750  1.0 1.0
   70    52    54    57  -0.30950 -1.0 2.0
   70    52    54    57   0.27300  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   57    54    56    58   0.64500  1.0 1.0
   57    54    56    58   0.14800 -1.0 2.0
   57    54    56    58   0.20650  1.0 3.0
   57    54    56    80   0.64500  1.0 1.0
   57    54    56    80   0.14800 -1.0 2.0
   57    54    56    80   0.20650  1.0 3.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.00000  1.0 1.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    67   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    45   0.36750  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    46   0.56750  1.0 1.0
   39    33    43    46  -0.07550 -1.0 2.0
   39    33    43    46   0.20000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    45   0.36750  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   46    43    50    51  -0.11600  1.0 1.0
   46    43    50    51  -0.09450 -1.0 2.0
   46    43    50    51   0.21250  1.0 3.0
   50    43    46    47   0.23400  1.0 3.0
   50    43    46    48   0.23400  1.0 3.0
   50    43    46    49   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    45    37    38  10.50000 -1.0 2.0
   58    80    56    54   4.00000 -1.0 2.0
   61    63    58    56   4.00000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   71    69    68    61   1.10000 -1.0 2.0
   80    86    71    68   4.00000 -1.0 2.0
   71    81    80    56   4.00000 -1.0 2.0
   81    84    82    83  10.50000 -1.0 2.0
   82    85    84    86   1.10000 -1.0 2.0
   71    87    86    84   1.10000 -1.0 2.0
   57    64    59    60  10.50000 -1.0 2.0
END
