* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    249     480
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033   105.62945   -28.03242
    3     1 S   H    _H1_     3     1.02082    64.42742    75.56273
    4     1 S   H    _H2_     4     1.02147    48.02241  -129.31848
    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   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   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   _C19    36     1.91345    95.42851   161.87257
   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   CT   _C13    37     1.57594   104.13328   179.98022
   38    37 S   HC   _H37    38     1.10068   108.87450   -30.27898
   39    37 S   HC   _H38    39     1.08763   108.89680  -139.18020
   40    33 S   CT   _C16    59     1.62624   103.42548    64.65407
   41    40 S   OM   _O20    60     1.32571   110.58229   -78.74282
   42    40 S   HC   _H41    61     1.10559   102.80496    46.72869
   43    33 S   CO   _C18    66     1.58328   104.41491   -57.76441
   44    43 S   HC   _H43    67     1.09472   111.58424    76.61827
   45    37 S   CT   _C17    40     1.55498   120.98056    96.74099
   46    45 S   HC   _H42    41     1.08888   114.16931    -6.01083
   47    43 S   OH   _O25    68     1.43788   110.41426   -39.78095
   48    47 S   HO   _H51    69     0.96597   105.82974  -179.95154
   49    45 S   CT   _C15    42     1.55509   112.61457   120.32478
   50    49 S   HC   _H40    43     1.10187   107.77781    53.47043
   51    45 S   OS   _O26    73     1.43648   105.81081  -122.70665
   52    49 S   CM   _C6_    44     1.49964   119.88877   173.59391
   53    51 S   CO4  _C9_    74     1.36439   115.33537    91.77893
   54    53 S   O    _O22    75     1.22429   125.91432     0.06256
   55    52 S   CO4  _C7_    45     1.48626   107.22337   158.71222
   56    55 S   O    _O21    46     1.21700   127.41016   163.53701
   57    52 S   CM   _C8_    70     1.33480   132.24039   -18.15282
   58    57 S   HC   _H29    71     1.08346   120.72474    -3.45695
   59    57 S   HC   _H30    72     1.08414   120.72710   176.53966
   60    53 S   CT   _C22    76     1.51839   109.23110  -179.51705
   61    60 S   HC   _H50    77     1.09657   107.94733    -0.42750
   62    55 S   OS   _O23    47     1.36906   106.54258   -15.26249
   63    60 S   CT   _C20    78     1.52445   109.70914   119.12177
   64    63 S   HC   _H44    79     1.09542   110.91416    61.54771
   65    63 S   HC   _H45    80     1.09543   111.24419   -58.90442
   66    63 S   HC   _H46    81     1.09500   110.99819  -178.49858
   67    60 S   CT   _C21    82     1.52625   110.76068  -118.02288
   68    67 S   HC   _H47    83     1.09485   110.83640   -62.26093
   69    67 S   HC   _H48    84     1.09586   110.76355   177.87883
   70    67 S   HC   _H49    85     1.09574   111.51042    58.16625
   71    49 S   CT   _C14    48     1.53746   116.37426   -70.70454
   72    71 S   HC   _H39    49     1.09586   111.47506   -54.52493
   73    71 S   CM   _C4_    50     1.49993   113.50605    72.19580
   74    73 S   HC   _H28    51     1.08877   115.70766    63.12182
   75    73 S   CM   _C5_    52     1.34916   125.00052  -106.73732
   76    75 S   CT   _C10    53     1.49954   120.24969   163.07063
   77    76 S   HC   _H31    54     1.09804   109.58810    43.81846
   78    76 S   HC   _H32    55     1.09581   110.99146   159.33751
   79    75 S   CT   _C11    62     1.49974   124.56169    -8.61001
   80    79 S   HC   _H33    63     1.09550   113.43081   177.03034
   81    79 S   HC   _H34    64     1.09652   108.44285   -65.67295
   82    76 S   CT   _C12    56     1.53779   111.96835   -76.67658
   83    82 S   HC   _H35    57     1.09799   108.14034    70.53891
   84    82 S   HC   _H36    58     1.10149   106.28851  -179.18795
   85    79 S   OS   _O24    65     1.41111   110.41559    52.15224
  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  13   5   4   3
  20   2   1   1  18   7   6  14   6   5  10   4  14   6   3   1
  15   8   8   9  11   4   8   3   4   1   1   9   8   5   7   3
   2   1   3   2   1   1   6   3  10   3  10   9   5   4   4   2
   1   2   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    82    40    41    42    85    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    49    76    82    83    84    40    41    42    79    85    43    44    47    48    51  
   35    36  
   36  
    0  
   38    39    45    46    49    50    52    71    82    40    41    42    85    43    44    47    51    53  
   39    45    46    49    40    43    51  
   45    46    49    40    43    51  
   41    42    85    43    44    47    45    75    76    77    78    82    83    84  
   42    43    76    82    83    84  
   43    76    82    83    84  
   44    47    48    45    75    79    80    81    82    85  
   47    48    79    85  
   46    49    50    52    55    62    71    72    73    57    51    53    54    60  
   49    50    52    71    51    53  
   48    79    85  
   85  
   50    52    55    56    62    71    72    73    74    75    57    58    59    51    53  
   52    55    62    71    72    73    57    51  
   53    54    60    61    63    67    52    71  
   55    56    62    71    72    73    57    58    59  
   54    60    61    63    64    65    66    67    68    69    70  
   60    61    63    67  
   56    62    71    72    73    57    58    59  
   62    71    57  
   58    59    62    71  
   59  
    0  
   61    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   71    72    73    74    75  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    79  
   73    74    75  
   74    75    76    77    78    82    79    80    81    85  
   75    76    79  
   76    77    78    82    83    84    79    80    81    85  
   77    78    82    83    84    79    80    81    85  
   78    82    83    84    79  
   82    83    84    79  
   80    81    85    82  
   81    85  
   85  
   83    84  
   84  
    0  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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    40   268.000  1.529
   33    43   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    71   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    62   214.000  1.327
   62    71   320.000  1.410
   71    72   340.000  1.090
   71    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    79   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   320.000  1.410
   85    43   320.000  1.380
   43    44   340.000  1.090
   43    47   380.000  1.407
   47    48   553.000  0.945
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    85    90.00000  108.56700
   33    43    44    45.00000  112.01100
   33    43    47    90.00000  110.19100
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    70.00000  112.02700
   45    49    71    58.35000  112.70000
   45    51    53    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    71    62    50.00000  109.50000
   49    71    72    37.50000  110.70000
   49    71    73    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    62    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    62    71    83.00000  116.90000
   62    55    56    83.00000  123.40000
   62    71    72    35.00000  109.50000
   62    71    73    85.00000  110.90400
   71    49    50    37.50000  110.70000
   71    49    52    70.00000  112.02700
   71    73    74    35.00000  117.00000
   71    73    75    70.00000  124.00000
   73    71    72    35.00000  109.50000
   73    75    76    70.00000  124.00000
   73    75    79    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    82    70.00000  112.02700
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    85    85.00000  110.90400
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    40    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    40    41    50.00000  109.50000
   82    40    42    37.50000  110.70000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   42    40    41    45.00000  125.66300
   79    75    76    65.00000  117.92700
   79    85    43    60.00000  109.50000
   81    79    80    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    81    35.00000  109.50000
   85    43    44    35.00000  109.50000
   85    43    47   110.00000  112.08000
   43    33    37    75.00000  109.43000
   43    33    40    75.00000  109.43000
   43    47    48    70.00000  107.92000
   47    43    44    60.00000  108.02500
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    63    63.00000  111.10000
   53    60    67    63.00000  111.10000
   60    53    54    80.00000  120.40000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   63    60    61    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    85   0.56750  1.0 1.0
   29    33    43    85  -0.07550 -1.0 2.0
   29    33    43    85   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    51   0.62750  1.0 1.0
   33    37    45    51  -0.30950 -1.0 2.0
   33    37    45    51   0.27300  1.0 3.0
   33    43    47    48  -0.11600  1.0 1.0
   33    43    47    48  -0.09450 -1.0 2.0
   33    43    47    48   0.21250  1.0 3.0
   37    33    40    82   0.56750  1.0 1.0
   37    33    40    82  -0.07550 -1.0 2.0
   37    33    40    82   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    85   0.62750  1.0 1.0
   37    33    43    85  -0.30950 -1.0 2.0
   37    33    43    85   0.27300  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    47   0.86500  1.0 1.0
   37    33    43    47  -0.17500 -1.0 2.0
   37    33    43    47   0.20800  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    52   0.34400  1.0 1.0
   37    45    49    52   0.09450 -1.0 2.0
   37    45    49    52   0.11100  1.0 3.0
   37    45    49    71   0.56750  1.0 1.0
   37    45    49    71  -0.07550 -1.0 2.0
   37    45    49    71   0.20000  1.0 3.0
   37    45    51    53  -0.25900  1.0 1.0
   37    45    51    53  -0.47000 -1.0 2.0
   37    45    51    53   0.11750  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    51   0.23400  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    49   0.15000  1.0 3.0
   39    37    45    51   0.23400  1.0 3.0
   45    49    52    55   0.09700  1.0 1.0
   45    49    52    55   0.15600 -1.0 2.0
   45    49    52    55  -0.50800  1.0 3.0
   45    49    52    57   0.09850  1.0 1.0
   45    49    52    57   0.15250 -1.0 2.0
   45    49    52    57  -0.50650  1.0 3.0
   45    49    71    62   0.62750  1.0 1.0
   45    49    71    62  -0.30950 -1.0 2.0
   45    49    71    62   0.27300  1.0 3.0
   45    49    71    72   0.15000  1.0 3.0
   45    49    71    73   0.34400  1.0 1.0
   45    49    71    73   0.09450 -1.0 2.0
   45    49    71    73   0.11100  1.0 3.0
   45    51    53    54   3.00000 -1.0 2.0
   45    51    53    60   1.63150  1.0 1.0
   45    51    53    60   2.92000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    71   0.15000  1.0 3.0
   46    45    51    53   0.08050  1.0 3.0
   49    45    51    53  -0.25900  1.0 1.0
   49    45    51    53  -0.47000 -1.0 2.0
   49    45    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    62  -0.15000  1.0 1.0
   49    52   -55    62   0.89550 -1.0 2.0
   49    52   -55    62  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    71    73    74   0.00000  1.0 1.0
   49    71    73    75   0.09850  1.0 1.0
   49    71    73    75   0.15250 -1.0 2.0
   49    71    73    75  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    71    62   0.23400  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    73   0.15000  1.0 3.0
   52    49   -71    62   0.61850  1.0 1.0
   52    49   -71    62  -0.22750 -1.0 2.0
   52    49   -71    62   0.15300  1.0 3.0
   52    49    71    72   0.15000  1.0 3.0
   52    49    71    73   0.31000  1.0 1.0
   52    49    71    73   0.14700 -1.0 2.0
   52    49    71    73   0.07550  1.0 3.0
   52    55   -62    71   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    62   -71    49  -0.25900  1.0 1.0
   55    62   -71    49  -0.47000 -1.0 2.0
   55    62   -71    49   0.11750  1.0 3.0
   55    62    71    72   0.08050  1.0 3.0
   55    62    71    73  -0.82050  1.0 1.0
   55    62    71    73   0.00600 -1.0 2.0
   55    62    71    73   0.04400  1.0 3.0
   56    55    62    71   3.00000 -1.0 2.0
   62    71    73    74   0.00000  1.0 1.0
   62    71    73    75   0.39000  1.0 1.0
   62    71    73    75  -0.05800 -1.0 2.0
   62    71    73    75  -0.55150  1.0 3.0
   71    49   -52    55   0.09700  1.0 1.0
   71    49   -52    55   0.15600 -1.0 2.0
   71    49   -52    55  -0.50800  1.0 3.0
   71    49    52    57   0.09850  1.0 1.0
   71    49    52    57   0.15250 -1.0 2.0
   71    49    52    57  -0.50650  1.0 3.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    79   7.00000 -1.0 2.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.00000  1.0 1.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    78   0.00000  1.0 1.0
   73    75    76    82   0.09850  1.0 1.0
   73    75    76    82   0.15250 -1.0 2.0
   73    75    76    82  -0.50650  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    85   0.39000  1.0 1.0
   73    75    79    85  -0.05800 -1.0 2.0
   73    75    79    85  -0.55150  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    79   7.00000 -1.0 2.0
   75    76    82    83   0.15000  1.0 3.0
   75    76    82    84   0.15000  1.0 3.0
   75    76    82    40   0.34400  1.0 1.0
   75    76    82    40   0.09450 -1.0 2.0
   75    76    82    40   0.11100  1.0 3.0
   75    79    85    43  -0.77900  1.0 1.0
   75    79    85    43  -0.36900 -1.0 2.0
   75    79    85    43   0.40400  1.0 3.0
   76    75    79    80   0.34800  1.0 3.0
   76    75    79    81   0.34800  1.0 3.0
   76    75    79    85   0.09700  1.0 1.0
   76    75    79    85   0.15600 -1.0 2.0
   76    75    79    85  -0.50800  1.0 3.0
   76    82    40    33   0.56750  1.0 1.0
   76    82    40    33  -0.07550 -1.0 2.0
   76    82    40    33   0.20000  1.0 3.0
   76    82    40    41   0.62750  1.0 1.0
   76    82    40    41  -0.30950 -1.0 2.0
   76    82    40    41   0.27300  1.0 3.0
   76    82    40    42   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    40   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    40   0.15000  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.23400  1.0 3.0
   83    82    40    42   0.15000  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    41   0.23400  1.0 3.0
   84    82    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    43    85   0.62750  1.0 1.0
   40    33    43    85  -0.30950 -1.0 2.0
   40    33    43    85   0.27300  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    47   0.86500  1.0 1.0
   40    33    43    47  -0.17500 -1.0 2.0
   40    33    43    47   0.20800  1.0 3.0
   79    75    76    77   0.34800  1.0 3.0
   79    75    76    78   0.34800  1.0 3.0
   79    75    76    82   0.46850  1.0 1.0
   79    75    76    82   0.08550 -1.0 2.0
   79    75    76    82   0.09800  1.0 3.0
   79    85    43    33   0.06250  1.0 1.0
   79    85    43    33  -0.01100 -1.0 2.0
   79    85    43    33   0.28050  1.0 3.0
   79    85    43    44   0.37050  1.0 3.0
   79    85    43    47  -0.70900  1.0 1.0
   79    85    43    47  -1.18000 -1.0 2.0
   79    85    43    47   0.91650  1.0 3.0
   80    79    85    43   0.37050  1.0 3.0
   81    79    85    43   0.37050  1.0 3.0
   85    43    47    48  -0.50000  1.0 1.0
   85    43    47    48  -0.73950 -1.0 2.0
   85    43    47    48   0.17150  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    45   3.97050  1.0 1.0
   43    33    40    82   3.97050  1.0 1.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    62  -0.56150  1.0 1.0
   57    52    55    62   2.19150 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    52   0.61850  1.0 1.0
   51    45    49    52  -0.22750 -1.0 2.0
   51    45    49    52   0.15300  1.0 3.0
   51    45    49    71   0.62750  1.0 1.0
   51    45    49    71  -0.30950 -1.0 2.0
   51    45    49    71   0.27300  1.0 3.0
   51    53    60    61   0.00000  1.0 1.0
   51    53    60    63   0.36750  1.0 3.0
   51    53    60    67   0.36750  1.0 3.0
   53    60    63    64  -0.11250  1.0 3.0
   53    60    63    65  -0.11250  1.0 3.0
   53    60    63    66  -0.11250  1.0 3.0
   53    60    67    68  -0.11250  1.0 3.0
   53    60    67    69  -0.11250  1.0 3.0
   53    60    67    70  -0.11250  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    63   0.30150 -1.0 2.0
   54    53    60    67   0.30150 -1.0 2.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  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
   49    55    52    57   1.10000 -1.0 2.0
   52    62    55    56  10.50000 -1.0 2.0
   71    74    73    75   1.10000 -1.0 2.0
   76    79    75    73   1.10000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
END
