* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    147    232     421
    1     0 S   NP   _N1_     1    28.90212    98.06636   -21.42580
    2     1 S   H    _HN1     2     1.02785    92.01248   -89.88573
    3     1 S   H    _H1_     3     1.02950    65.86094    19.35485
    4     1 S   H    _H2_     4     1.02830    51.91722   158.84277
    5     1 S   CT   _CA1     5     1.50089   154.76224   106.26094
    6     5 S   HC   _HA1     6     1.09572   105.22959   101.20302
    7     5 S   CO3  _C1_     7     1.53710   112.44604   -19.11584
    8     7 S   O2Z  _O11     8     1.26374   115.01221   -43.88379
    9     7 S   O2Z  _O12     9     1.26226   114.95241   135.38829
   10     5 S   CT   _CB1    10     1.53066   107.45021  -140.78185
   11    10 S   HC   HB11    11     1.09833   109.33765   -50.09498
   12    10 S   HC   HB12    12     1.09815   110.47658    66.49822
   13    10 S   CT   _CG1    13     1.53000   112.61464  -171.07932
   14    13 S   HC   HG11    14     1.09569   110.67073   -65.95942
   15    13 S   HC   HG12    15     1.09669   109.77762    53.28384
   16    13 S   C    _CD1    16     1.51788   112.13185   173.71715
   17    16 S   O    _OE1    17     1.22734   123.25319     7.93365
   18    16 S   N    _N2_    18     1.38630   111.71558  -172.21507
   19    18 S   H    _HN2    19     1.01585   118.95554     1.31775
   20    18 S   CT1  _CA2    20     1.46215   123.33377   176.91733
   21    20 S   HC   _HA2    21     1.09735   109.40242     0.76847
   22    20 S   C    _C2_    22     1.53530   108.48012  -114.67707
   23    22 S   O    _O2_    23     1.23049   122.32139  -147.56773
   24    20 S   CT   _CB2    32     1.53259   111.60721   122.86493
   25    24 S   HC   HB21    33     1.09587   110.00848    55.85836
   26    24 S   HC   HB22    34     1.09455   110.07718   174.98624
   27    22 S   N    _N3_    24     1.38337   113.63557    39.84006
   28    27 S   H    _HN3    25     1.01591   119.57149    -3.34457
   29    24 S   S    _SG2    35     1.82767   111.46572   -65.05786
   30    27 S   CT   _CA3    26     1.45285   123.21541   177.13153
   31    30 S   HC   HA31    27     1.09551   107.50874   -64.60965
   32    30 S   HC   HA32    28     1.09557   107.98934    51.83267
   33    29 S   CT   _C23    36     1.85152    99.55457   171.75938
   34    33 S   HC   _H3_    37     1.09644   107.30519   -43.87406
   35    30 S   CO3  _C3_    29     1.52961   114.06781   173.82184
   36    35 S   O2Z  _O31    30     1.26381   116.05761    -0.90935
   37    35 S   O2Z  _O32    31     1.26429   114.41461   179.15559
   38    33 S   CA   _C11    38     1.52455   109.55340    73.61658
   39    33 S   CT   _C20    52     1.54524   110.10709  -161.11018
   40    39 S   HC   _H40    53     1.09956   109.97091   -68.50164
   41    38 S   CA   _C5_    39     1.41681   119.22184  -111.92750
   42    41 S   HA   _H29    40     1.08801   120.05787    -0.28255
   43    39 S   CO4  _C16    54     1.51921   114.06790   173.20898
   44    43 S   O    _O21    55     1.22011   127.04405    29.89648
   45    41 S   CA   _C7_    41     1.39808   121.35403   179.82417
   46    45 S   HA   _H31    42     1.08404   120.86564   179.92598
   47    43 S   OS   _O26    56     1.37045   109.26510  -151.97761
   48    45 S   CA   _C13    43     1.37733   117.71292    -0.06256
   49    47 S   CT   _C17    57     1.43047   109.29536     0.95039
   50    49 S   HC   _H34    58     1.09611   108.17341   -95.17431
   51    49 S   HC   _H35    59     1.09251   109.42582   147.17201
   52    48 S   CA   _C15    44     1.37414   121.66998    -0.05595
   53    39 S   CT   _C21    60     1.54159   117.84150    55.96853
   54    53 S   HC   _H41    61     1.09596   111.02789   -82.48280
   55    38 S   CA   _C9_    45     1.40672   121.76885    67.67915
   56    55 S   HA   _H33    46     1.08484   121.60073    -0.21850
   57    52 S   OS   _O25    47     1.36111   112.34475  -179.85873
   58    53 S   CT   _C22    62     1.54856   114.40025    42.23815
   59    58 S   HC   _H42    63     1.09756   110.35202    57.32844
   60    58 S   HC   _H43    64     1.09523   110.91016   -59.28991
   61    57 S   CO   _C19    48     1.44217   100.95912    -0.10468
   62    61 S   HC   _H38    49     1.09609   108.67419  -120.80812
   63    61 S   HC   _H39    50     1.09608   108.66763   121.04054
   64    58 S   CA   _C10    65     1.51258   113.55580  -179.05457
   65    48 S   OS   _O23    51     1.36054   125.93424  -179.96044
   66    64 S   CA   _C4_    66     1.41364   120.24407    67.33688
   67    66 S   HA   _H28    67     1.08783   120.07577     0.26020
   68    66 S   CA   _C6_    68     1.39770   121.01766  -179.84677
   69    68 S   HA   _H30    69     1.08399   120.90509   179.82868
   70    68 S   CA   _C12    70     1.37803   117.76667    -0.34435
   71    70 S   CA   _C14    71     1.37461   121.69265    -0.01978
   72    64 S   CA   _C8_    72     1.40399   120.20140  -113.11856
   73    72 S   HA   _H32    73     1.08498   121.34903     0.24469
   74    71 S   OS   _O24    74     1.36101   112.35275  -179.92867
   75    74 S   CO   _C18    75     1.44238   100.94880     0.17246
   76    75 S   HC   _H36    76     1.09607   108.65399  -121.24605
   77    75 S   HC   _H37    77     1.09611   108.66964   120.62053
   78    70 S   OS   _O22    78     1.36060   125.93738  -180.00000
  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
  17   7   2   1   1  13  15   7   8   4   8   3   7   3   6   8
   8   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9
   1   8   4   7   3   8   7   4   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    55    39    40    43    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    55    56    39    40    43    44    47    49    53    54    58  
   38    41    55    39    40    43    53  
   36    37  
   37  
    0  
   41    42    45    46    48    52    55    56    57    39    40    43    53  
   40    43    44    47    49    50    51    53    54    58    59    60    64    41    55  
   43    44    47    49    53    54    58  
   42    45    46    48    52    55    56    65  
   45    46    48    55  
   44    47    49    50    51    53    54    58  
   47    49    53  
   46    48    52    55    57    61    65  
   48    52    65  
   49    50    51    53    54    58  
   52    55    56    57    61    62    63    65  
   50    51    53    54    58    59    60    64  
   51    53    54    58  
   53    54    58  
   55    56    57    61    62    63    65  
   54    58    59    60    64    66    72  
   58    59    60    64  
   56    57    61    65  
   57  
   61    62    63    65  
   59    60    64    66    67    68    71    72    73  
   60    64    66    72  
   64    66    72  
   62    63    65  
   63    65  
   65  
   66    67    68    69    70    71    72    73    74  
    0  
   67    68    69    70    71    72    73    78  
   68    69    70    72  
   69    70    71    72    74    75    78  
   70    71    78  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    78  
   74  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   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    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    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    52   469.000  1.400
   48    65   450.000  1.364
   52    55   469.000  1.400
   52    57   450.000  1.364
   55    56   367.000  1.080
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   320.000  1.380
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    53   268.000  1.529
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    66   469.000  1.400
   64    72   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    78   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   74    75   320.000  1.380
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.380
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    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    53    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    52    63.00000  120.00000
   45    48    65    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    55    63.00000  120.00000
   48    52    57    70.00000  120.00000
   48    65    61   100.00000  112.36700
   52    55    56    35.00000  120.00000
   52    57    61   100.00000  112.36700
   55    38    41    63.00000  120.00000
   57    52    55    70.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    65    92.60000  111.55000
   63    61    62    33.00000  109.50000
   65    48    52    70.00000  120.00000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    81.00000  111.40000
   39    53    49    58.35000  112.70000
   39    53    54    37.50000  110.70000
   39    53    58    58.35000  112.70000
   43    39    40    35.00000  109.50000
   43    47    49    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    53    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    39    40    37.50000  110.70000
   53    39    43    63.00000  111.10000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    64    66    70.00000  120.00000
   58    64    72    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    78    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    78    75   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    74    75   100.00000  112.36700
   72    64    66    63.00000  120.00000
   74    71    72    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    92.60000  111.55000
   77    75    76    33.00000  109.50000
   78    70    71    70.00000  120.00000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    53   0.44750  1.0 1.0
   29    33    39    53  -0.17800 -1.0 2.0
   29    33    39    53   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.36750  1.0 3.0
   33    39    53    49   0.56750  1.0 1.0
   33    39    53    49  -0.07550 -1.0 2.0
   33    39    53    49   0.20000  1.0 3.0
   33    39    53    54   0.15000  1.0 3.0
   33    39    53    58   0.56750  1.0 1.0
   33    39    53    58  -0.07550 -1.0 2.0
   33    39    53    58   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    53   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    53  -0.03700  1.0 1.0
   38    33    39    53   0.37200 -1.0 2.0
   38    33    39    53  -0.47300  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    55    52   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   41    45    48    65   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    55   3.62500 -1.0 2.0
   45    48    52    57   3.62500 -1.0 2.0
   45    48    65    61   1.63200 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   46    45    48    65   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -57    61   1.63200 -1.0 2.0
   52    48   -65    61   1.63200 -1.0 2.0
   52    57    61    62   0.08050  1.0 3.0
   52    57    61    63   0.08050  1.0 3.0
   52    57   -61    65  -0.25600  1.0 1.0
   52    57   -61    65  -0.40050 -1.0 2.0
   52    57   -61    65   0.34700  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    45   3.62500 -1.0 2.0
   55    52    57    61   1.63200 -1.0 2.0
   57    52    55    38   3.62500 -1.0 2.0
   57    52    55    56   3.62500 -1.0 2.0
   57    61   -65    48  -0.25600  1.0 1.0
   57    61   -65    48  -0.40050 -1.0 2.0
   57    61   -65    48   0.34700  1.0 3.0
   62    61    65    48   0.08050  1.0 3.0
   63    61    65    48   0.08050  1.0 3.0
   65    48    52    55   3.62500 -1.0 2.0
   65    48   -52    57   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    55   0.04150 -1.0 2.0
   39    43   -47    49   1.63150  1.0 1.0
   39    43   -47    49   2.92000 -1.0 2.0
   39    53    58    59   0.15000  1.0 3.0
   39    53    58    60   0.15000  1.0 3.0
   39    53    58    64  -0.03700  1.0 1.0
   39    53    58    64   0.37200 -1.0 2.0
   39    53    58    64  -0.47300  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    53    49   0.15000  1.0 3.0
   40    39    53    54   0.15000  1.0 3.0
   40    39    53    58   0.15000  1.0 3.0
   43    39   -53    49  -0.95700  1.0 1.0
   43    39   -53    49  -0.18200 -1.0 2.0
   43    39   -53    49   0.29450  1.0 3.0
   43    39    53    54  -0.11250  1.0 3.0
   43    39    53    58  -0.95700  1.0 1.0
   43    39    53    58  -0.18200 -1.0 2.0
   43    39    53    58   0.29450  1.0 3.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    51   0.08050  1.0 3.0
   43    47   -49    53  -0.25900  1.0 1.0
   43    47   -49    53  -0.47000 -1.0 2.0
   43    47   -49    53   0.11750  1.0 3.0
   44    43    47    49   3.00000 -1.0 2.0
   47    49   -53    39   0.62750  1.0 1.0
   47    49   -53    39  -0.30950 -1.0 2.0
   47    49   -53    39   0.27300  1.0 3.0
   47    49    53    54   0.23400  1.0 3.0
   47    49    53    58   0.62750  1.0 1.0
   47    49    53    58  -0.30950 -1.0 2.0
   47    49    53    58   0.27300  1.0 3.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    60   0.15000  1.0 3.0
   49    53    58    64  -0.03700  1.0 1.0
   49    53    58    64   0.37200 -1.0 2.0
   49    53    58    64  -0.47300  1.0 3.0
   50    49    53    39   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    39   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    39    43    44   0.30150 -1.0 2.0
   53    39   -43    47   0.36750  1.0 3.0
   53    58    64    66   0.04150 -1.0 2.0
   53    58    64    72   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   58    64    72    71   3.62500 -1.0 2.0
   58    64    72    73   3.62500 -1.0 2.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    64    72   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    72   0.00000  1.0 1.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   66    64    72    71   3.62500 -1.0 2.0
   66    64    72    73   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    78   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    78    75   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    78   3.62500 -1.0 2.0
   70    71   -72    64   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71   -74    75   1.63200 -1.0 2.0
   71    70   -78    75   1.63200 -1.0 2.0
   71    74    75    76   0.08050  1.0 3.0
   71    74    75    77   0.08050  1.0 3.0
   71    74   -75    78  -0.25600  1.0 1.0
   71    74   -75    78  -0.40050 -1.0 2.0
   71    74   -75    78   0.34700  1.0 3.0
   72    64    66    67   3.62500 -1.0 2.0
   72    64   -66    68   3.62500 -1.0 2.0
   72    71    74    75   1.63200 -1.0 2.0
   74    71    72    64   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    75   -78    70  -0.25600  1.0 1.0
   74    75   -78    70  -0.40050 -1.0 2.0
   74    75   -78    70   0.34700  1.0 3.0
   76    75    78    70   0.08050  1.0 3.0
   77    75    78    70   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    74   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    65    48    45   4.00000 -1.0 2.0
   55    57    52    48   4.00000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   66    72    64    58   4.00000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    78    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   71    73    72    64   1.10000 -1.0 2.0
END
