* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    163    239     470
    1     0 S   NP   _N1_     1    28.96807    96.47738   -17.93963
    2     1 S   H    _HN1     2     1.02958    92.61496    28.79929
    3     1 S   H    _H1_     3     1.02829    48.76221   139.34359
    4     1 S   H    _H2_     4     1.02772    68.97331   -79.83472
    5     1 S   CT   _CA1     5     1.50143   154.23157  -177.67190
    6     5 S   HC   _HA1     6     1.09580   105.20429    25.97821
    7     5 S   CO3  _C1_     7     1.53928   112.24205   -94.02171
    8     7 S   O2Z  _O11     8     1.26357   115.07603   -45.17819
    9     7 S   O2Z  _O12     9     1.26261   114.85961   133.62190
   10     5 S   CT   _CB1    10     1.53085   107.34756   143.69104
   11    10 S   HC   HB11    11     1.09820   109.49368   -51.24398
   12    10 S   HC   HB12    12     1.09756   110.25500    65.14786
   13    10 S   CT   _CG1    13     1.52952   112.60903  -172.28194
   14    13 S   HC   HG11    14     1.09602   110.40659   -59.25162
   15    13 S   HC   HG12    15     1.09640   110.01551    59.69074
   16    13 S   C    _CD1    16     1.51934   112.47979  -179.95154
   17    16 S   O    _OE1    17     1.22707   123.41014    -9.68688
   18    16 S   N    _N2_    18     1.38442   111.42188   170.84919
   19    18 S   H    _HN2    19     1.01631   118.82944     2.61239
   20    18 S   CT1  _CA2    20     1.45811   123.87557  -178.93835
   21    20 S   HC   _HA2    21     1.09633   109.80255   -13.27843
   22    20 S   C    _C2_    22     1.52796   106.69640  -131.25306
   23    22 S   O    _O2_    23     1.22978   122.79797   -27.40647
   24    20 S   CT   _CB2    32     1.53253   111.25729   110.91105
   25    24 S   HC   HB21    33     1.09494   109.03578    46.31442
   26    24 S   HC   HB22    34     1.09557   110.75242   163.84754
   27    22 S   N    _N3_    24     1.38645   112.53466   156.63544
   28    27 S   H    _HN3    25     1.01525   119.87222    -1.48411
   29    24 S   S    _SG2    35     1.83172   112.28299   -77.21933
   30    27 S   CT   _CA3    26     1.45433   122.34868   173.34698
   31    30 S   HC   HA31    27     1.09545   108.60662    41.03446
   32    30 S   HC   HA32    28     1.09459   107.54921   158.21684
   33    29 S   CT   _C9_    36     1.85812   101.32204   138.52381
   34    30 S   CO3  _C3_    29     1.52810   112.53578   -81.63825
   35    34 S   O2Z  _O31    30     1.26501   115.62052   -48.83513
   36    34 S   O2Z  _O32    31     1.26366   115.44318   129.99417
   37    33 S   CT   _C10    37     1.55261   110.45137   -77.65767
   38    37 S   HC   _H3_    38     1.09942   107.37353    48.41299
   39    33 S   CT   _C20    87     1.53665   106.82250   157.89601
   40    39 S   HC   _H18    88     1.09762   111.38727   -63.62893
   41    39 S   HC   _H19    89     1.09606   111.24003   177.95694
   42    39 S   HC   _H20    90     1.09532   112.56950    57.08007
   43    37 S   CT   _C11    39     1.56897   112.98503   165.62148
   44    43 S   HC   _H4_    40     1.09488   108.03473    72.98624
   45    37 S   CO4  _C18    80     1.52745   112.52713   -66.20951
   46    45 S   O    _O35    81     1.22491   123.07504    95.12487
   47    43 S   CA   _C12    41     1.53738   109.76800  -167.59202
   48    43 S   CM   _C7_    52     1.52690   111.85071   -41.94093
   49    45 S   OS   _O36    82     1.36093   111.83646   -83.44560
   50    47 S   CA   _C13    42     1.41110   119.15895    63.43454
   51    50 S   HA   _H11    43     1.08808   120.49861     1.08246
   52    48 S   CM   _C8_    53     1.35047   121.96026    17.30746
   53    48 S   CO4  _C6_    70     1.48312   118.30001  -162.07720
   54    53 S   O    _O34    71     1.22119   124.38757   121.77461
   55    49 S   CT   _C19    83     1.43058   115.33226  -179.39769
   56    55 S   HC   _H15    84     1.09321   108.07324   178.69914
   57    55 S   HC   _H16    85     1.09431   110.32193    60.03508
   58    55 S   HC   _H17    86     1.09413   110.23792   -62.62607
   59    50 S   CA   _C14    44     1.39535   121.44398  -178.96108
   60    59 S   HA   _H12    45     1.08621   120.00470   179.38198
   61    33 S   NE   _N4_    54     1.45508   108.60020    42.32750
   62    61 S   H    _H10    55     1.01554   117.04970    38.03774
   63    52 S   CT   _C21    56     1.51246   124.60412  -178.84954
   64    63 S   HC   _H21    57     1.09432   113.14287   -20.05790
   65    63 S   HC   _H22    58     1.09781   109.60947  -139.27754
   66    53 S   OS   _O33    72     1.35832   108.39080   -58.15743
   67    59 S   CA   _C15    46     1.38941   119.96842    -0.34718
   68    67 S   HA   _H13    47     1.08604   120.07588   179.61743
   69    63 S   OS   _O37    59     1.42764   107.60457   100.93541
   70    66 S   CT   _C5_    73     1.43444   115.21089   178.95564
   71    70 S   HC   _H8_    74     1.09558   109.48420   -60.46453
   72    70 S   HC   _H9_    75     1.09555   109.52934    59.80084
   73    67 S   CA   _C16    48     1.39240   119.81968    -0.34264
   74    73 S   HA   _H14    49     1.08746   118.87025  -179.73533
   75    69 S   CT   _C22    60     1.42607   112.32444   167.43123
   76    75 S   HC   _H23    61     1.09579   109.62961    54.33239
   77    75 S   HC   _H24    62     1.09610   109.46639   -65.10743
   78    70 S   CT   _C4_    76     1.51543   108.30695   179.66312
   79    78 S   HC   _H5_    77     1.09497   110.62623   -58.53969
   80    78 S   HC   _H6_    78     1.09468   110.65233    59.74880
   81    78 S   HC   _H7_    79     1.09353   110.89163  -179.44928
   82    47 S   CA   _C17    50     1.40858   123.21875  -116.49056
   83    82 S   Cl   Cl1_    51     1.72971   122.70057    -1.36802
   84    75 S   CT   _C23    63     1.51992   108.66815   173.87785
   85    84 S   HC   _H25    64     1.09380   111.61674   -56.60570
   86    84 S   HC   _H26    65     1.09305   111.94710   179.27341
   87    84 S   NP   _N5_    66     1.48107   109.35817    60.51719
   88    87 S   H    _H27    67     1.03086   112.27216  -178.97626
   89    87 S   H    _H28    68     1.03145   112.84196    61.16627
   90    87 S   H    _H29    69     1.02891   111.30023   -58.98637
  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
   4   8   4  10   8   2   3   2   1   1   6   3   5   1   7   3
   2   7   5   3   7   6   5   4   3   2   9   5   4   3   2   1
   1   1   1   6   5   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    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    61    62    63    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    82    48    52    61    62    53    45    46    49    55    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    59    73    82    83    48    52    61    63    53    54    66    45    46    49  
   47    50    82    48    52    53    45  
   46    49    55    56    57    58    47    48    61  
   49    55  
   50    51    59    60    67    73    74    82    83    48    52    53  
   52    61    62    63    64    65    69    53    54    66    70    50    82  
   55    56    57    58  
   51    59    60    67    68    73    82    83  
   59    60    67    82  
   61    62    63    64    65    69    75    53    54    66  
   54    66    70    71    72    78    61    63  
   66    70  
   56    57    58  
   57    58  
   58  
    0  
   60    67    68    73    74    82  
   67    68    73  
   62    63    64    65    69  
   63  
   64    65    69    75    76    77    84  
   65    69    75  
   69    75  
   70    71    72    78    79    80    81  
   68    73    74    82    83  
   73    74    82  
   75    76    77    84    85    86    87  
   71    72    78    79    80    81  
   72    78    79    80    81  
   78    79    80    81  
   74    82    83  
   82    83  
   76    77    84    85    86    87    88    89    90  
   77    84    85    86    87  
   84    85    86    87  
   79    80    81  
   80    81  
   81  
    0  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   1.5900   1.4000   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  -0.051000   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   84   3.5000   0.0660  -0.034400   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   88   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   89   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   90   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    61   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    82   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    82   469.000  1.400
   82    83   300.000  1.725
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    61   425.000  1.378
   52    63   317.000  1.510
   61    62   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   320.000  1.410
   69    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   367.000  1.471
   87    88   434.000  1.010
   87    89   434.000  1.010
   87    90   434.000  1.010
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    57   340.000  1.090
   55    58   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    61    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    61    52    50.00000  121.00000
   33    61    62    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    82    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    59    63.00000  120.00000
   47    82    73    63.00000  120.00000
   47    82    83    75.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    67    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    73    63.00000  120.00000
   67    59    60    35.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    82    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    82    83    75.00000  120.00000
   82    47    50    63.00000  120.00000
   82    73    74    35.00000  120.00000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    61    70.00000  124.03900
   48    52    63    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    61    62    35.00000  114.50000
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   52    63    69    85.00000  110.90400
   61    33    37    80.00000  111.61500
   63    52    61    75.00000  116.24600
   63    69    75    60.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    84    50.00000  109.50000
   75    84    85    37.50000  110.70000
   75    84    86    37.50000  110.70000
   75    84    87    80.00000  111.20000
   77    75    76    33.00000  107.80000
   84    75    76    37.50000  110.70000
   84    75    77    37.50000  110.70000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    35.00000  109.50000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   53    48    52    65.00000  118.96000
   53    66    70    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    78    50.00000  109.50000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   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    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   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    82   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    59   3.62500 -1.0 2.0
   43    47    82    73   3.62500 -1.0 2.0
   43    47    82    83   3.62500 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    52    63   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    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    82   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    59    60   3.62500 -1.0 2.0
   47    50    59    67   3.62500 -1.0 2.0
   50    47    82    73   3.62500 -1.0 2.0
   50    47    82    83   3.62500 -1.0 2.0
   50    59    67    68   3.62500 -1.0 2.0
   50    59   -67    73   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    67   3.62500 -1.0 2.0
   59    67    73    74   3.62500 -1.0 2.0
   59    67    73    82   3.62500 -1.0 2.0
   60    59    67    68   3.62500 -1.0 2.0
   60    59    67    73   3.62500 -1.0 2.0
   67    73   -82    47   3.62500 -1.0 2.0
   67    73    82    83   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    82   3.62500 -1.0 2.0
   74    73    82    47   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   82    47    50    51   3.62500 -1.0 2.0
   82    47   -50    59   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    82   0.18050 -1.0 2.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   48    52    63    64   0.00000  1.0 1.0
   48    52    63    65   0.00000  1.0 1.0
   48    52    63    69   0.39000  1.0 1.0
   48    52    63    69  -0.05800 -1.0 2.0
   48    52    63    69  -0.55150  1.0 3.0
   48    53    66    70   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   52    63    69    75  -0.77900  1.0 1.0
   52    63    69    75  -0.36900 -1.0 2.0
   52    63    69    75   0.40400  1.0 3.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    63    64  -0.18050  1.0 3.0
   61    52    63    65  -0.18050  1.0 3.0
   61    52    63    69   0.09700  1.0 1.0
   61    52    63    69   0.15600 -1.0 2.0
   61    52    63    69  -0.50800  1.0 3.0
   63    52    61    33   1.00000 -1.0 2.0
   63    52    61    62   2.40850 -1.0 2.0
   63    69    75    76   0.37050  1.0 3.0
   63    69    75    77   0.37050  1.0 3.0
   63    69    75    84   0.06250  1.0 1.0
   63    69    75    84  -0.01100 -1.0 2.0
   63    69    75    84   0.28050  1.0 3.0
   64    63    69    75   0.37050  1.0 3.0
   65    63    69    75   0.37050  1.0 3.0
   69    75    84    85   0.23400  1.0 3.0
   69    75    84    86   0.23400  1.0 3.0
   69    75    84    87   1.69300  1.0 1.0
   69    75    84    87  -0.48450 -1.0 2.0
   75    84    87    88   0.17350  1.0 3.0
   75    84    87    89   0.17350  1.0 3.0
   75    84    87    90   0.17350  1.0 3.0
   76    75    84    85   0.15000  1.0 3.0
   76    75    84    86   0.15000  1.0 3.0
   76    75    84    87   0.19200  1.0 3.0
   77    75    84    85   0.15000  1.0 3.0
   77    75    84    86   0.15000  1.0 3.0
   77    75    84    87   0.19200  1.0 3.0
   85    84    87    88   0.13050  1.0 3.0
   85    84    87    89   0.13050  1.0 3.0
   85    84    87    90   0.13050  1.0 3.0
   86    84    87    88   0.13050  1.0 3.0
   86    84    87    89   0.13050  1.0 3.0
   86    84    87    90   0.13050  1.0 3.0
   53    48    52    61   7.00000 -1.0 2.0
   53    48    52    63   7.00000 -1.0 2.0
   53    66    70    71   0.08050  1.0 3.0
   53    66    70    72   0.08050  1.0 3.0
   53    66    70    78  -0.25900  1.0 1.0
   53    66    70    78  -0.47000 -1.0 2.0
   53    66    70    78   0.11750  1.0 3.0
   54    53    66    70   3.00000 -1.0 2.0
   66    70    78    79   0.23400  1.0 3.0
   66    70    78    80   0.23400  1.0 3.0
   66    70    78    81   0.23400  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    81   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.15000  1.0 3.0
   72    70    78    81   0.15000  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    57   0.08050  1.0 3.0
   45    49    55    58   0.08050  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   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    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   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
   35    30    34    36  10.50000 -1.0 2.0
   50    82    47    43   4.00000 -1.0 2.0
   59    51    50    47   1.10000 -1.0 2.0
   67    60    59    50   1.10000 -1.0 2.0
   73    68    67    59   1.10000 -1.0 2.0
   82    74    73    67   1.10000 -1.0 2.0
   73    83    82    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   63    61    52    48   1.10000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
