* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    143    214     414
    1     0 S   NP   _N1_     1    29.20562    92.97355   -23.46001
    2     1 S   H    _HN1     2     1.02965    90.04448    30.15269
    3     1 S   H    _H1_     3     1.02835    19.77294   179.90109
    4     1 S   H    _H2_     4     1.02776   105.02046   -78.86168
    5     1 S   CT   _CA1     5     1.50126   127.81880   146.34166
    6     5 S   HC   _HA1     6     1.09575   105.23577    70.66965
    7     5 S   CO3  _C1_     7     1.53773   112.40130   -49.52216
    8     7 S   O2Z  _O11     8     1.26352   115.00613   -43.56290
    9     7 S   O2Z  _O12     9     1.26241   114.91345   135.60933
   10     5 S   CT   _CB1    10     1.53066   107.40148  -171.45928
   11    10 S   HC   HB11    11     1.09835   109.26807   -51.16978
   12    10 S   HC   HB12    12     1.09835   110.42961    65.29851
   13    10 S   CT   _CG1    13     1.53061   112.75367  -172.34145
   14    13 S   HC   HG11    14     1.09587   110.42890   -63.94095
   15    13 S   HC   HG12    15     1.09637   110.09621    55.40968
   16    13 S   C    _CD1    16     1.51718   112.07666   175.61371
   17    16 S   O    _OE1    17     1.22703   123.09771    -4.88447
   18    16 S   N    _N2_    18     1.38595   111.93509   175.46572
   19    18 S   H    _HN2    19     1.01592   119.13354     0.87536
   20    18 S   CT1  _CA2    20     1.46026   123.09213  -179.46259
   21    20 S   HC   _HA2    21     1.09455   109.06711   -11.31773
   22    20 S   C    _C2_    22     1.53305   108.76755  -126.05163
   23    22 S   O    _O2_    23     1.23017   122.20507  -145.62636
   24    20 S   CT   _CB2    32     1.53422   111.87790   111.15047
   25    24 S   HC   HB21    33     1.09671   109.35478    59.65933
   26    24 S   HC   HB22    34     1.09429   110.99923   176.53276
   27    22 S   N    _N3_    24     1.38500   113.38608    42.23901
   28    27 S   H    _HN3    25     1.01512   119.07095    -1.20982
   29    24 S   S    _SG2    35     1.83095   114.67954   -59.66125
   30    27 S   CT   _CA3    26     1.45405   123.03831   174.36956
   31    30 S   HC   HA31    27     1.09543   108.89957    32.11979
   32    30 S   HC   HA32    28     1.09485   107.27084   149.08957
   33    29 S   CT   _C12    36     1.84522   101.00012   -69.64592
   34    33 S   HC   _H3_    37     1.09384   107.27635    41.19359
   35    30 S   CO3  _C3_    29     1.52919   113.07562   -91.06599
   36    35 S   O2Z  _O31    30     1.26389   115.34254   -46.86746
   37    35 S   O2Z  _O32    31     1.26338   115.03579   133.88704
   38    33 S   CA   _C7_    38     1.52447   109.29816   157.31386
   39    33 S   CT   _C13    58     1.53795   110.71174   -77.05580
   40    39 S   HC   _H13    59     1.09643   111.37759    48.74929
   41    39 S   HC   _H14    60     1.09582   112.79108   -70.62700
   42    38 S   CA   _C6_    39     1.40754   119.24011  -107.92775
   43    42 S   HA   _H7_    40     1.08630   118.29143    -1.46447
   44    39 S   C    _C14    61     1.51725   110.72825   167.98130
   45    44 S   O    _O36    62     1.22819   121.96683   100.41137
   46    42 S   CA   _C5_    41     1.39748   121.04637   178.26404
   47    44 S   N    _N4_    63     1.38409   112.73135   -78.65387
   48    47 S   H    _H15    64     1.01546   119.28441    -5.95447
   49    46 S   CA   _C10    42     1.39881   118.64026     0.83228
   50    46 S   OS   _O33    53     1.37055   125.23378  -179.00810
   51    47 S   CT   _C15    65     1.45178   122.48298   179.03450
   52    51 S   HC   _H16    66     1.09558   106.71406    81.47356
   53    51 S   HC   _H17    67     1.09584   108.95886   -34.30986
   54    49 S   CA   _C9_    43     1.40047   121.63166    -0.56717
   55    49 S   OH   _O34    51     1.37375   118.63648   179.68286
   56    55 S   HO   _H9_    52     0.97364   107.30806   179.85196
   57    50 S   CT   _C4_    54     1.42194   117.08131     2.66528
   58    57 S   HC   _H4_    55     1.09423   107.79051   177.93322
   59    57 S   HC   _H5_    56     1.09508   111.34812    60.08453
   60    57 S   HC   _H6_    57     1.09373   110.81216   -64.52538
   61    51 S   CT   _C16    68     1.52843   112.24518  -158.32169
   62    61 S   HC   _H18    69     1.09724   109.40711  -173.67522
   63    61 S   HC   _H19    70     1.09751   109.79586   -57.68573
   64    38 S   CA   _C8_    44     1.40671   121.78268    70.68202
   65    64 S   HA   _H8_    45     1.08557   118.61683     0.37949
   66    54 S   OS   _O35    46     1.37107   115.55061  -179.76179
   67    61 S   CA   _C17    71     1.50941   113.03592    65.29842
   68    66 S   CT   _C11    47     1.42268   116.98789  -179.06560
   69    68 S   HC   _H10    48     1.09427   107.73516   179.07762
   70    68 S   HC   _H11    49     1.09504   111.17341    61.32620
   71    68 S   HC   _H12    50     1.09496   111.09875   -63.21953
   72    67 S   CA   _C18    72     1.40211   120.53753  -106.68836
   73    72 S   HA   _H20    73     1.08745   120.55781    -0.59610
   74    72 S   CA   _C19    74     1.39548   120.48827   179.54286
   75    74 S   HA   _H21    75     1.08640   119.76109   179.98022
   76    74 S   CA   _C20    76     1.39100   119.65247     0.00000
   77    76 S   CA   _C21    77     1.39255   120.71654     0.14537
   78    77 S   HA   _H22    78     1.08595   120.99482   179.98022
   79    76 S   OH   _O37    81     1.36641   118.28641  -179.76427
   80    79 S   HO   _H24    82     0.97221   108.48623  -178.82297
   81    67 S   CA   _C22    79     1.40243   120.41460    72.92149
   82    81 S   HA   _H23    80     1.08730   120.26983     0.39860
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   9   4   3   9   4   7   3  11   8   4
   9   6   8   5   4   9   3   1   3   2   1   1   9   4   3   3
   1   4   9   3   2   1   1   8   4   7   3   6   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    64    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    64    65    39    40    41    44    45    47  
   38    42    64    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    49    54    64    65    66    50    39    40    41    44  
   40    41    44    45    47    48    51    42    64  
   41    44    45    47  
   44    45    47  
   43    46    49    54    64    65    55    50    57  
   46    49    64    50  
   45    47    48    51    52    53    61  
   47    48    51  
   49    54    64    66    55    56    50    57    58    59    60  
   48    51    52    53    61    62    63    67  
   51    52    53    61  
   54    64    65    66    68    55    56    50    57  
   57    58    59    60    54    55  
   52    53    61    62    63    67    72    81  
   53    61    62    63    67  
   61    62    63    67  
   64    65    66    68    69    70    71    55    56  
   56    64    66  
    0  
   58    59    60  
   59    60  
   60  
    0  
   62    63    67    72    73    74    77    81    82  
   63    67    72    81  
   67    72    81  
   65    66    68  
   66  
   68    69    70    71  
   72    73    74    75    76    77    78    81    82  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    81    82    79  
   74    75    76    81  
   75    76    77    78    81    79    80  
   76    77    79  
   77    78    81    82    79    80  
   78    81    82    79    80  
   81    82    79  
   80    81  
    0  
   82  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    64   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    54   469.000  1.400
   49    55   450.000  1.364
   54    64   469.000  1.400
   54    66   450.000  1.364
   64    65   367.000  1.080
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   553.000  0.945
   50    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    47   490.000  1.335
   47    48   434.000  1.010
   47    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   317.000  1.510
   67    72   469.000  1.400
   67    81   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   79    80   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    64    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    64    54    63.00000  120.00000
   38    64    65    35.00000  120.00000
   42    46    49    63.00000  120.00000
   42    46    50    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    54    63.00000  120.00000
   46    49    55    70.00000  120.00000
   46    50    57    75.00000  111.00000
   49    54    64    63.00000  120.00000
   49    54    66    70.00000  120.00000
   49    55    56    35.00000  113.00000
   54    64    65    35.00000  120.00000
   54    66    68    75.00000  111.00000
   64    38    42    63.00000  120.00000
   66    54    64    70.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    49    54    70.00000  120.00000
   50    46    49    70.00000  120.00000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    47    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    48    35.00000  119.80000
   44    47    51    50.00000  121.90000
   47    44    45    80.00000  122.90000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    61    70.00000  110.72300
   51    47    48    38.00000  118.40000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    67    70.00000  112.17500
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    67    72    70.00000  120.00000
   61    67    81    70.00000  120.00000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    72    73    35.00000  120.00000
   67    72    74    63.00000  120.00000
   67    81    77    63.00000  120.00000
   67    81    82    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    81    63.00000  120.00000
   76    79    80    35.00000  113.00000
   77    81    82    35.00000  120.00000
   81    67    72    63.00000  120.00000
   81    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    64  -0.16000  1.0 1.0
   29    33    38    64  -0.03200 -1.0 2.0
   29    33    38    64   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    64    54   3.62500 -1.0 2.0
   33    38    64    65   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    47   1.39750  1.0 1.0
   33    39    44    47  -0.07950 -1.0 2.0
   33    39    44    47  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    64   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    49   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    64    54   3.62500 -1.0 2.0
   42    38    64    65   3.62500 -1.0 2.0
   42    46   -49    54   3.62500 -1.0 2.0
   42    46    49    55   3.62500 -1.0 2.0
   42    46    50    57   1.63200 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    49    54    64   3.62500 -1.0 2.0
   46    49    54    66   3.62500 -1.0 2.0
   46    49    55    56   0.84100 -1.0 2.0
   46    50    57    58   0.08050  1.0 3.0
   46    50    57    59   0.08050  1.0 3.0
   46    50    57    60   0.08050  1.0 3.0
   49    46    50    57   1.63200 -1.0 2.0
   49    54   -64    38   3.62500 -1.0 2.0
   49    54    64    65   3.62500 -1.0 2.0
   49    54    66    68   1.63200 -1.0 2.0
   54    49    55    56   0.84100 -1.0 2.0
   54    66    68    69   0.08050  1.0 3.0
   54    66    68    70   0.08050  1.0 3.0
   54    66    68    71   0.08050  1.0 3.0
   64    38    42    43   3.62500 -1.0 2.0
   64    38   -42    46   3.62500 -1.0 2.0
   64    54    66    68   1.63200 -1.0 2.0
   66    54    64    38   3.62500 -1.0 2.0
   66    54    64    65   3.62500 -1.0 2.0
   55    49    54    64   3.62500 -1.0 2.0
   55    49    54    66   3.62500 -1.0 2.0
   50    46    49    54   3.62500 -1.0 2.0
   50    46    49    55   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    64   0.04150 -1.0 2.0
   39    44    47    48   2.45000 -1.0 2.0
   39    44    47    51   1.49850  1.0 1.0
   39    44    47    51   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    53   0.00000  1.0 1.0
   44    47    51    61  -0.43950  1.0 1.0
   44    47    51    61  -0.08100 -1.0 2.0
   44    47    51    61   0.03350  1.0 3.0
   45    44    47    48   2.45000 -1.0 2.0
   45    44    47    51   3.04450 -1.0 2.0
   47    51    61    62   0.15000  1.0 3.0
   47    51    61    63   0.15000  1.0 3.0
   47    51    61    67   0.08550  1.0 1.0
   47    51    61    67   1.07500 -1.0 2.0
   47    51    61    67  -0.10950  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    61   0.00000  1.0 1.0
   51    61    67    72   0.04150 -1.0 2.0
   51    61    67    81   0.04150 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    67   0.43200  1.0 3.0
   53    51    61    62   0.15000  1.0 3.0
   53    51    61    63   0.15000  1.0 3.0
   53    51    61    67   0.43200  1.0 3.0
   61    67    72    73   3.62500 -1.0 2.0
   61    67    72    74   3.62500 -1.0 2.0
   61    67    81    77   3.62500 -1.0 2.0
   61    67    81    82   3.62500 -1.0 2.0
   62    61    67    72   0.00000  1.0 1.0
   62    61    67    81   0.00000  1.0 1.0
   63    61    67    72   0.00000  1.0 1.0
   63    61    67    81   0.00000  1.0 1.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    76   3.62500 -1.0 2.0
   72    67    81    77   3.62500 -1.0 2.0
   72    67    81    82   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    81   3.62500 -1.0 2.0
   74    76    79    80   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -81    67   3.62500 -1.0 2.0
   76    77    81    82   3.62500 -1.0 2.0
   77    76    79    80   0.84100 -1.0 2.0
   78    77    81    67   3.62500 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   81    67    72    73   3.62500 -1.0 2.0
   81    67   -72    74   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    81   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    64    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    50    46    42   4.00000 -1.0 2.0
   54    55    49    46   4.00000 -1.0 2.0
   64    66    54    49   4.00000 -1.0 2.0
   54    65    64    38   1.10000 -1.0 2.0
   39    47    44    45  10.50000 -1.0 2.0
   48    44    47    51   1.00000 -1.0 2.0
   72    81    67    61   4.00000 -1.0 2.0
   74    73    72    67   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   81    78    77    76   1.10000 -1.0 2.0
   77    82    81    67   1.10000 -1.0 2.0
END
