* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    147    228     423
    1     0 S   NP   _N1_     1    30.58605    90.41682   -18.28279
    2     1 S   H    _HN1     2     1.03241   135.91859    80.07012
    3     1 S   H    _H1_     3     1.02808    29.80806    61.95967
    4     1 S   H    _H2_     4     1.02782    99.37187   -47.79348
    5     1 S   CT   _CA1     5     1.50193    89.27806  -160.05741
    6     5 S   HC   _HA1     6     1.09533   105.50357    41.89472
    7     5 S   CO3  _C1_     7     1.53618   112.49878   -79.12430
    8     7 S   O2Z  _O11     8     1.26356   114.99025   -46.29556
    9     7 S   O2Z  _O12     9     1.26180   115.07037   133.24607
   10     5 S   CT   _CB1    10     1.52819   107.15427   160.34320
   11    10 S   HC   HB11    11     1.09854   109.61267   -49.08903
   12    10 S   HC   HB12    12     1.09710   109.71967    66.90681
   13    10 S   CT   _CG1    13     1.53140   113.43840  -170.58886
   14    13 S   HC   HG11    14     1.09541   111.44127   -62.05217
   15    13 S   HC   HG12    15     1.09557   110.88030    57.74029
   16    13 S   C    _CD1    16     1.51427   109.00349   177.11697
   17    16 S   O    _OE1    17     1.22789   121.80093   -94.59951
   18    16 S   N    _N2_    18     1.38443   112.63583    82.16815
   19    18 S   H    _HN2    19     1.01502   119.08556     7.68066
   20    18 S   CT1  _CA2    20     1.46267   123.35017  -168.43627
   21    20 S   HC   _HA2    21     1.09702   108.90260     4.51926
   22    20 S   C    _C2_    22     1.53414   110.08852  -112.28516
   23    22 S   O    _O2_    23     1.23102   121.70500  -152.80747
   24    20 S   CT   _CB2    32     1.54062   111.36892   125.36859
   25    24 S   HC   HB21    33     1.09420   108.73869    71.01026
   26    24 S   HC   HB22    34     1.09504   110.00233  -170.47259
   27    22 S   N    _N3_    24     1.38300   114.14266    33.94734
   28    27 S   H    _HN3    25     1.01475   119.06702     0.58751
   29    24 S   S    _SG2    35     1.82642   111.66454   -48.86424
   30    27 S   CT   _CA3    26     1.45419   123.27177   176.70443
   31    30 S   HC   HA31    27     1.09541   109.04581    28.09383
   32    30 S   HC   HA32    28     1.09497   107.15544   144.96845
   33    29 S   CT   _C5_    36     1.88160   102.74477  -173.44719
   34    30 S   CO3  _C3_    29     1.52887   113.23871   -95.32629
   35    34 S   O2Z  _O31    30     1.26387   115.41064   -45.57409
   36    34 S   O2Z  _O32    31     1.26358   114.97391   135.41447
   37    33 S   CT   _C6_    37     1.55619   111.61396   -45.05137
   38    37 S   HC   _H10    38     1.09593   110.45953    64.89431
   39    37 S   HC   _H11    39     1.09523   110.19790   178.70140
   40    33 S   OS   _O33    75     1.44289   110.01725    71.22517
   41    37 S   S    _S1_    40     1.82504   116.55955   -59.05317
   42    40 S   CT   _C4_    76     1.42053   117.48253    64.84325
   43    42 S   HC   _H7_    77     1.09397   107.66621   179.26087
   44    42 S   HC   _H8_    78     1.09206   111.85415    61.20388
   45    42 S   HC   _H9_    79     1.09260   111.67677   -62.81582
   46    41 S   C4T  _C7_    41     1.82685    97.29281   -54.83513
   47    46 S   HC   _H3_    42     1.09454   114.46071   -80.48564
   48    46 S   C4T  _C8_    43     1.55745   116.11399   142.64967
   49    48 S   HC   _H4_    44     1.09746   113.73046   144.36379
   50    46 S   N4   _N4_    47     1.45646   109.04490    46.92982
   51    48 S   C4   _C9_    45     1.55180    85.16719  -104.06957
   52    51 S   O    _O34    46     1.20994   136.32828   173.28233
   53    33 S   CT1  _C10    48     1.56452   106.82890  -165.54721
   54    53 S   HC   _H5_    49     1.09976   108.70557   -45.33019
   55    48 S   N    _N5_    53     1.47771   118.16059    11.84773
   56    55 S   H    _H12    54     1.02042   119.59564  -106.03532
   57    53 S   CO3  _C11    50     1.55211   117.85053  -164.01224
   58    57 S   O2Z  _O36    51     1.26040   116.99051   -17.36789
   59    57 S   O2Z  _O35    52     1.26667   114.14767   162.97861
   60    55 S   C    _C12    55     1.39087   122.25867    74.69392
   61    60 S   O    _O37    56     1.23045   123.62975     2.88941
   62    60 S   CT1  _C13    57     1.53203   112.90469  -175.27503
   63    62 S   HC   _H6_    58     1.09524   108.84715   -33.51168
   64    62 S   CM   _C14    59     1.51654   108.17857    86.95485
   65    62 S   NT   _N6_    72     1.46433   108.69723  -149.78208
   66    65 S   H    _H20    73     1.01945   109.10930   173.62379
   67    65 S   H    _H21    74     1.01952   109.37855    58.19401
   68    64 S   CM   _C15    60     1.34823   120.64619  -106.81840
   69    68 S   HC   _H13    61     1.08741   119.81554    -0.57709
   70    68 S   CT   _C16    62     1.50140   124.13373   178.94223
   71    70 S   HC   _H14    63     1.09460   108.78622  -121.77092
   72    70 S   HC   _H15    64     1.09569   108.89896   121.35629
   73    70 S   CM   _C17    65     1.49697   113.99981    -0.59446
   74    73 S   HC   _H16    66     1.08615   117.63654  -179.21391
   75    73 S   CM   _C18    67     1.33938   122.87746     0.67811
   76    75 S   HC   _H17    68     1.08626   119.31212  -179.97202
   77    64 S   CT   _C19    69     1.51697   118.14313    72.44160
   78    77 S   HC   _H18    70     1.09607   109.48837    60.78196
   79    77 S   HC   _H19    71     1.09567   109.50891   -56.99384
  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  11   5   4   3
  17   2   1   1  12   5   4   9   8   4   2   1   1  12   6  10
   6   8   7   2   4   3   7   3   2   1   1   9   4  12   6  14
   4   1   1  10   5   7   4   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    50    53    54    57    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    46    51    50    53    54    57    58    59    40    42    43    44    45  
   35    36  
   36  
    0  
   38    39    41    46    47    48    50    53    54    57    40    42  
   39    41    46    53    40  
   41    46    53    40  
   42    43    44    45    41    50    53    54    57  
   46    47    48    49    51    50    53    55  
   43    44    45    53  
   44    45  
   45  
    0  
   47    48    49    51    52    50    53    54    57    55    56    60  
   48    49    51    50    53    55  
   49    51    52    50    53    55    56    60    61    62  
   51    52    50    55    56    60  
   53    54    57    58    59    55    51    52  
   52    53    54    57    55    56    60  
   53    55  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    64    65  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    64    68    77    65    66    67  
   62    63    64    65  
   63    64    68    69    70    75    77    78    79    65    66    67  
   64    68    77    65    66    67  
   68    69    70    71    72    73    75    76    77    78    79    65    66    67  
   66    67    68    77  
   67  
    0  
   69    70    71    72    73    74    75    77    78    79  
   70    71    72    73    77  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.316400   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   0.348900   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   0.047500   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    53   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   222.000  1.810
   41    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   305.000  1.456
   48    49   340.000  1.090
   48    51   250.000  1.540
   48    55   337.000  1.449
   51    52   930.000  1.212
   51    50   440.000  1.369
   50    53   337.000  1.449
   53    54   340.000  1.090
   53    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   55    56   434.000  1.010
   55    60   490.000  1.335
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   305.000  1.457
   64    68   549.000  1.340
   64    77   317.000  1.510
   68    69   340.000  1.080
   68    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   65    66   434.000  1.010
   65    67   434.000  1.010
   40    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    53    75.00000  108.68000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    75.00000  111.63000
   33    53    50    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    57    63.00000  111.10000
   33    40    42    60.00000  109.50000
   37    41    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    46    47    45.00000  109.41400
   41    46    48    65.00000  119.05700
   41    46    50    80.00000  108.62000
   46    48    49    37.50000  110.70000
   46    48    51   100.00000   86.36000
   46    48    55    80.00000  110.05700
   46    50    51   100.00000   93.00000
   46    50    53    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    50    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    60    50.00000  121.90000
   51    48    49    40.00000  113.37500
   51    50    53    50.00000  132.10000
   50    46    47    50.00000  112.01000
   50    46    48   105.00000   87.49700
   50    51    52    75.00000  131.60000
   50    53    54    35.00000  109.50000
   50    53    57    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    57    58    70.00000  117.00000
   53    57    59    70.00000  117.00000
   57    53    54    35.00000  109.50000
   59    57    58    80.00000  126.00000
   55    48    49    50.00000  112.01000
   55    48    51    75.00000  110.24000
   55    60    61    80.00000  122.90000
   55    60    62    70.00000  116.60000
   60    55    56    35.00000  119.80000
   60    62    63    35.00000  109.50000
   60    62    64    70.00000  115.00700
   60    62    65    75.00000  111.54000
   62    60    61    80.00000  120.40000
   62    64    68    70.00000  124.00000
   62    64    77    65.00000  117.92700
   62    65    66    50.00000  111.55300
   62    65    67    50.00000  111.55300
   64    62    63    35.00000  109.50000
   64    68    69    35.00000  120.00000
   64    68    70    70.00000  124.00000
   64    77    75    70.00000  110.12100
   64    77    78    35.00000  109.50000
   64    77    79    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    70.00000  110.12100
   70    68    69    35.00000  117.00000
   70    73    74    35.00000  117.00000
   70    73    75    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   77    64    68    70.00000  124.00000
   77    75    76    35.00000  117.00000
   79    77    78    33.00000  107.80000
   65    62    63    50.00000  109.55000
   65    62    64    75.00000  110.70900
   67    65    66    43.60000  106.40000
   40    33    37    50.00000  109.50000
   40    33    53    50.00000  109.50000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    53    50   0.71400  1.0 1.0
   29    33    53    50   0.04300 -1.0 2.0
   29    33    53    50   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57  -2.17200  1.0 1.0
   29    33    53    57  -0.85700 -1.0 2.0
   29    33    40    42   0.14700  1.0 1.0
   29    33    40    42  -1.16150 -1.0 2.0
   29    33    40    42   0.48700  1.0 3.0
   33    37    41    46  -0.25000 -1.0 2.0
   33    37    41    46  -0.01800  1.0 3.0
   33    53    57    58   0.00000  1.0 1.0
   33    53    57    59   0.00000  1.0 1.0
   33    40    42    43   0.37050  1.0 3.0
   33    40    42    44   0.37050  1.0 3.0
   33    40    42    45   0.37050  1.0 3.0
   37    33    53    50   0.42250  1.0 1.0
   37    33    53    50  -0.48100 -1.0 2.0
   37    33    53    50   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57  -0.84850  1.0 1.0
   37    33    53    57  -0.22800 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    40    42   0.06250  1.0 1.0
   37    33    40    42  -0.01100 -1.0 2.0
   37    33    40    42   0.28050  1.0 3.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    48   0.25150  1.0 1.0
   37    41    46    48  -1.17200 -1.0 2.0
   37    41    46    48   0.53050  1.0 3.0
   37    41   -46    50   0.01700  1.0 1.0
   37    41   -46    50  -0.23550 -1.0 2.0
   37    41   -46    50   0.21350  1.0 3.0
   38    37    41    46   0.32350  1.0 3.0
   39    37    41    46   0.32350  1.0 3.0
   41    46    48    49   0.00000  1.0 1.0
   41    46    48    51   0.00000  1.0 1.0
   41    46    48    55   0.00000  1.0 1.0
   41    46   -50    51   0.00000  1.0 1.0
   41    46    50    53   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 1.0
   46    48    51    52   0.11400 -1.0 2.0
   46    48    51    52  -0.28950  1.0 3.0
   46    48   -51    50   3.00000 -1.0 2.0
   46    48    55    56   0.00000  1.0 1.0
   46    48    55    60  -0.43950  1.0 1.0
   46    48    55    60  -0.08100 -1.0 2.0
   46    48    55    60   0.03350  1.0 3.0
   46    50   -53    33   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    57   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46   -50    51   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   48    46   -50    51   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    51   -50    46   3.00000 -1.0 2.0
   48    51   -50    53   3.00000 -1.0 2.0
   48    55    60    61   3.04450 -1.0 2.0
   48    55    60    62   1.15000  1.0 1.0
   48    55    60    62   3.04450 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    50   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    60   0.00000  1.0 1.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    60  -0.42300  1.0 1.0
   51    48    55    60  -0.07000 -1.0 2.0
   51    48    55    60   0.04150  1.0 3.0
   51    50    53    33   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    57   0.00000  1.0 1.0
   52    51   -50    46   3.00000 -1.0 2.0
   52    51    50    53   3.00000 -1.0 2.0
   50    46   -48    49   0.15000  1.0 3.0
   50    46   -48    51   3.00000 -1.0 2.0
   50    46    48    55   2.20050  1.0 1.0
   50    46    48    55   0.63450 -1.0 2.0
   50    46    48    55  -0.91300  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    59   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    41   0.44750  1.0 1.0
   53    33   -37    41  -0.17800 -1.0 2.0
   53    33   -37    41   0.20200  1.0 3.0
   53    33    40    42   0.06250  1.0 1.0
   53    33    40    42  -0.01100 -1.0 2.0
   53    33    40    42   0.28050  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    50   0.00000  1.0 1.0
   55    60    62    63   0.00000  1.0 1.0
   55    60    62    64   0.00000  1.0 1.0
   55    60    62    65   0.00000  1.0 1.0
   56    55    60    61   2.45000 -1.0 2.0
   56    55    60    62   2.45000 -1.0 2.0
   60    62    64    68  -0.51250  1.0 1.0
   60    62    64    68  -0.88800 -1.0 2.0
   60    62    64    68   0.08850  1.0 3.0
   60    62    64    77   0.17250  1.0 1.0
   60    62    64    77  -0.04100 -1.0 2.0
   60    62    64    77  -0.33850  1.0 3.0
   60    62    65    66   0.21900  1.0 1.0
   60    62    65    66  -0.24900 -1.0 2.0
   60    62    65    66   0.15200  1.0 3.0
   60    62    65    67   0.21900  1.0 1.0
   60    62    65    67  -0.24900 -1.0 2.0
   60    62    65    67   0.15200  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.30150 -1.0 2.0
   61    60    62    65   0.30150 -1.0 2.0
   62    64    68    69   7.00000 -1.0 2.0
   62    64    68    70   7.00000 -1.0 2.0
   62    64    77    75   0.09700  1.0 1.0
   62    64    77    75   0.15600 -1.0 2.0
   62    64    77    75  -0.50800  1.0 3.0
   62    64    77    78   0.34800  1.0 3.0
   62    64    77    79   0.34800  1.0 3.0
   63    62    64    68   0.00000  1.0 1.0
   63    62    64    77   0.34800  1.0 3.0
   63    62    65    66   0.20000  1.0 3.0
   63    62    65    67   0.20000  1.0 3.0
   64    62    65    66   0.12450  1.0 1.0
   64    62    65    66  -0.40750 -1.0 2.0
   64    62    65    66   0.30300  1.0 3.0
   64    62    65    67   0.12450  1.0 1.0
   64    62    65    67  -0.40750 -1.0 2.0
   64    62    65    67   0.30300  1.0 3.0
   64    68    70    71   0.00000  1.0 1.0
   64    68    70    72   0.00000  1.0 1.0
   64    68    70    73  -0.28300  1.0 1.0
   64    68    70    73   0.26700 -1.0 2.0
   64    68    70    73  -0.63300  1.0 3.0
   68    64    77    75  -0.28300  1.0 1.0
   68    64    77    75   0.26700 -1.0 2.0
   68    64    77    75  -0.63300  1.0 3.0
   68    64    77    78   0.00000  1.0 1.0
   68    64    77    79   0.00000  1.0 1.0
   68    70    73    74   0.00000  1.0 1.0
   68    70   -73    75  -0.28300  1.0 1.0
   68    70   -73    75   0.26700 -1.0 2.0
   68    70   -73    75  -0.63300  1.0 3.0
   69    68    70    71   0.33100  1.0 3.0
   69    68    70    72   0.33100  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   70    73    75    76   7.00000 -1.0 2.0
   70    73    75    77   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.33100  1.0 3.0
   72    70    73    75   0.00000  1.0 1.0
   73    75   -77    64  -0.28300  1.0 1.0
   73    75   -77    64   0.26700 -1.0 2.0
   73    75   -77    64  -0.63300  1.0 3.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    64   0.00000  1.0 1.0
   76    75    77    78   0.33100  1.0 3.0
   76    75    77    79   0.33100  1.0 3.0
   77    64    68    69   7.00000 -1.0 2.0
   77    64   -68    70   7.00000 -1.0 2.0
   65    62    64    68   0.90200  1.0 1.0
   65    62    64    68   0.57900 -1.0 2.0
   65    62    64    68  -0.62100  1.0 3.0
   65    62    64    77   0.52100  1.0 1.0
   65    62    64    77  -0.20350 -1.0 2.0
   65    62    64    77   0.29750  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41   0.56750  1.0 1.0
   40    33    37    41  -0.07550 -1.0 2.0
   40    33    37    41   0.20000  1.0 3.0
   40    33    53    50   1.12100  1.0 1.0
   40    33    53    50  -0.16500 -1.0 2.0
   40    33    53    54   0.23400  1.0 3.0
   40    33    53    57  -3.35100  1.0 1.0
   40    33    53    57  -0.37050 -1.0 2.0
   40    33    53    57   0.22400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    50    51    52  10.50000 -1.0 2.0
   53    51    50    46   1.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   56    60    55    48   1.00000 -1.0 2.0
   55    62    60    61  10.50000 -1.0 2.0
   62    77    64    68   1.10000 -1.0 2.0
   70    69    68    64   1.10000 -1.0 2.0
   70    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
END
