* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    148    235     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02086    99.36845    22.16354
    3     1 S   H    _H1_     3     1.02140    36.72539   131.00374
    4     1 S   H    _H2_     4     1.02105    78.95260   -85.24208
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C5_    36     1.84611    97.37281  -178.14818
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C6_    37     1.53951   108.58793   -60.00681
   38    33 S   CT   _C4_    75     1.53901   109.27291   178.25785
   39    38 S   HC   _H6_    76     1.08462   109.24866   -59.99100
   40    38 S   HC   _H7_    77     1.08495   109.24205  -180.00000
   41    38 S   HC   _H8_    78     1.08493   109.28001    60.00343
   42    37 S   CM   _C7_    38     1.35381   121.02459   114.08984
   43    37 S   NE   _N7_    72     1.37503   116.00257   -65.98332
   44    43 S   H    _H20    73     0.99178   118.12633  -179.90309
   45    43 S   H    _H21    74     0.99165   118.06905     0.05234
   46    42 S   CM   _C8_    39     1.43427   121.65539    -1.12969
   47    42 S   OH   _O37    70     1.37713   124.02194   178.61083
   48    47 S   HO   _H19    71     0.96375   109.96580     0.22294
   49    46 S   CM   _C9_    40     1.33747   123.21409     4.55741
   50    46 S   CT   _C15    52     1.52755   126.82003  -174.68080
   51    50 S   HC   _H5_    53     1.09836   108.85072   -56.98605
   52    33 S   CO4  _C10    41     1.54819   105.50541    63.21635
   53    52 S   O    _O33    42     1.23177   122.23856    65.50650
   54    49 S   NE   _N4_    43     1.37077   112.58187   177.56989
   55    50 S   CT   _C16    54     1.52608   112.43379    63.15326
   56    55 S   HC   _H11    55     1.08990   109.91775   160.02925
   57    55 S   HC   _H12    56     1.08945   109.91571    39.08837
   58    54 S   CT   _C11    44     1.45712   128.87109   142.69791
   59    58 S   HC   _H9_    45     1.09454   109.89481   108.89260
   60    58 S   HC   _H10    46     1.09483   112.48173   -13.18665
   61    55 S   OS   _O34    57     1.41532   108.51350   -80.46812
   62    58 S   C3T  _C12    47     1.50176   103.53328  -132.87167
   63    62 S   HC   _H3_    48     1.07717   116.82284  -146.54063
   64    61 S   CO4  _C17    58     1.37158   116.37900   180.00000
   65    64 S   O    _O35    59     1.22684   124.67058    -0.00000
   66    62 S   C3T  _C13    49     1.49796   109.58409    -4.23397
   67    66 S   HC   _H4_    50     1.07922   120.34470  -141.80413
   68    64 S   N    _N5_    60     1.37258   111.04878   179.97202
   69    68 S   H    _H13    61     1.01449   119.31447   180.00000
   70    68 S   H    _H14    62     1.01429   121.38621     0.04846
   71    54 S   CO   _C14    51     1.47576   110.39178    -4.01532
   72    62 S   NTH  _N6_    68     1.45224   119.20650    60.83119
   73    72 S   H    _H18    69     1.01869   110.19074     7.35255
   74    71 S   OS   _O36    63     1.42772   109.83479  -107.27646
   75    74 S   CT   _C18    64     1.41877   111.30697   -46.93883
   76    75 S   HC   _H15    65     1.09320   109.54957   179.95577
   77    75 S   HC   _H16    66     1.09238   109.54097    59.19600
   78    75 S   HC   _H17    67     1.09230   108.97776   -60.47408
  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
  15   2   1   1  15   8   3   2   1  13   5   1   1  16   3   1
  13  16   8   4   1  12   9   4   3  10   6   5   6   7   5   4
   3   6   4   2   1   1   7   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    52    53    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    49    52    53    54    47    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    49    52    53    50    47    48    43    44    45    38    39    40    41  
   39    40    41    42    43    49    52    53  
   40    41    52  
   41    52  
   52  
   46    49    52    54    71    50    51    55    47    48    43    44    45  
   44    45    46    47    52  
   45  
    0  
   49    52    53    54    58    66    71    50    51    55    56    57    61    74    47    48  
   48    49    50  
    0  
   52    53    54    58    59    60    62    66    71    50    51    55    74  
   51    55    56    57    61    64    74    75    72    52    54    58    62    66    67    71  
   55    56    57    61    74    54    66    71  
   53    54    58    71  
   54  
   58    59    60    62    63    66    67    71    55    74    75    72  
   56    57    61    64    65    68    74    66    71  
   57    61    64    71  
   61    64    71  
   59    60    62    63    66    67    71    74    72    73  
   60    62    63    66    71    72  
   62    63    66    71    72  
   64    65    68    69    70    71  
   63    66    67    71    74    72    73  
   66    67    71    72    73  
   65    68    69    70  
   68    69    70  
   67    71    74    75    72    73  
   71    74    72    73  
   69    70  
   70  
    0  
   74    75    76    77    78    72    73  
   73    74  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.115300   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   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   317.000  1.510
   33    52   317.000  1.522
   33    38   268.000  1.529
   37    42   549.000  1.340
   37    43   425.000  1.378
   42    46   380.000  1.444
   42    47   510.000  1.338
   46    49   549.000  1.340
   46    50   317.000  1.510
   49    52   320.000  1.462
   49    54   425.000  1.378
   52    53   570.000  1.229
   54    58   382.000  1.448
   54    71   320.000  1.442
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   275.000  1.510
   62    63   340.000  1.088
   62    66   260.000  1.509
   62    72   315.000  1.448
   66    67   340.000  1.088
   66    71   275.000  1.510
   66    72   315.000  1.448
   71    50   250.000  1.527
   71    74   320.000  1.380
   50    51   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   320.000  1.410
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    68   435.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   72    73   500.000  1.015
   47    48   553.000  0.945
   43    44   434.000  1.010
   43    45   434.000  1.010
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    52    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    43    75.00000  116.24600
   33    52    49    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    70.00000  123.01800
   37    42    47    80.00000  121.38400
   37    43    44    35.00000  114.50000
   37    43    45    35.00000  114.50000
   42    46    49    70.00000  123.01800
   42    46    50    70.00000  124.00000
   42    47    48    70.00000  107.45700
   46    49    52    65.00000  118.96000
   46    49    54    70.00000  124.03900
   46    50    71    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    55    70.00000  112.02700
   49    52    53    80.00000  123.72100
   49    54    58    50.00000  121.00000
   49    54    71    50.00000  121.00000
   52    33    37    70.00000  109.06800
   54    49    52    70.00000  117.92000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    62    80.00000  111.61500
   54    71    66    85.00000  109.98000
   54    71    50    85.00000  109.98000
   54    71    74    95.00000  112.71300
   58    62    63    40.00000  115.04500
   58    62    66    60.00000  120.94000
   58    62    72    80.00000  111.29100
   60    58    59    33.00000  107.80000
   62    58    59    45.00000  109.38400
   62    58    60    45.00000  109.38400
   62    66    67    37.50000  117.20000
   62    66    71    60.00000  120.94000
   62    66    72    30.00000   60.00000
   62    72    66    10.00000   60.00000
   62    72    73    50.00000  109.23200
   66    62    63    37.50000  117.20000
   66    71    50    65.00000  112.71400
   66    71    74    90.00000  108.56700
   66    72    73    50.00000  109.23200
   71    54    58    50.00000  115.00000
   71    66    67    40.00000  115.04500
   71    50    51    45.00000  108.72000
   71    50    55    75.00000  109.43000
   71    74    75    60.00000  109.50000
   50    46    49    70.00000  124.00000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    61    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    61    64    83.00000  116.90000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    68   110.00000  108.75700
   64    68    69    50.00000  116.34900
   64    68    70    50.00000  116.34900
   68    64    65    85.00000  125.96000
   70    68    69    35.00000  120.00000
   74    71    50    90.00000  108.56700
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   72    62    63    50.00000  110.59500
   72    62    66    30.00000   60.00000
   72    66    67    50.00000  110.59500
   72    66    71    80.00000  104.84000
   47    42    46    80.00000  121.38400
   43    37    42    70.00000  124.03900
   45    43    44    35.00000  109.00000
   38    33    37    70.00000  112.02700
   38    33    52    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    43   0.09700  1.0 1.0
   29    33    37    43   0.15600 -1.0 2.0
   29    33    37    43  -0.50800  1.0 3.0
   29    33    52    49   0.65300  1.0 1.0
   29    33    52    49  -0.03850 -1.0 2.0
   29    33    52    49   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    43    44   2.40850 -1.0 2.0
   33    37    43    45   2.40850 -1.0 2.0
   37    33    52    49   0.65300  1.0 1.0
   37    33    52    49  -0.03850 -1.0 2.0
   37    33    52    49   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -46    49   0.28850  1.0 1.0
   37    42   -46    49   2.61350 -1.0 2.0
   37    42   -46    49   0.78400  1.0 3.0
   37    42    46    50  -0.18600  1.0 3.0
   37    42    47    48  -0.66100  1.0 1.0
   37    42    47    48   1.20850 -1.0 2.0
   37    42    47    48  -0.36000  1.0 3.0
   42    37    43    44   1.00000 -1.0 2.0
   42    37    43    45   1.00000 -1.0 2.0
   42    46    49    52   7.00000 -1.0 2.0
   42    46    49    54   7.00000 -1.0 2.0
   42    46    50    71   0.98200  1.0 1.0
   42    46    50    71  -0.11900 -1.0 2.0
   42    46    50    71   0.24250  1.0 3.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    55   0.98200  1.0 1.0
   42    46    50    55  -0.11900 -1.0 2.0
   42    46    50    55   0.24250  1.0 3.0
   46    42    47    48  -0.66100  1.0 1.0
   46    42    47    48   1.20850 -1.0 2.0
   46    42    47    48  -0.36000  1.0 3.0
   46    49   -52    33  -0.33500  1.0 1.0
   46    49   -52    33   1.06600 -1.0 2.0
   46    49   -52    33  -0.14000  1.0 3.0
   46    49    52    53   1.00000 -1.0 2.0
   46    49    54    58  -0.54700  1.0 1.0
   46    49    54    58   1.23000 -1.0 2.0
   46    49   -54    71  -0.54700  1.0 1.0
   46    49   -54    71   1.23000 -1.0 2.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    61   0.61850  1.0 1.0
   46    50    55    61  -0.22750 -1.0 2.0
   46    50    55    61   0.15300  1.0 3.0
   49    46   -50    71   0.09850  1.0 1.0
   49    46   -50    71   0.15250 -1.0 2.0
   49    46   -50    71  -0.50650  1.0 3.0
   49    46    50    51   0.00000  1.0 1.0
   49    46    50    55   0.09850  1.0 1.0
   49    46    50    55   0.15250 -1.0 2.0
   49    46    50    55  -0.50650  1.0 3.0
   49    54    58    59   0.00000  1.0 1.0
   49    54    58    60   0.00000  1.0 1.0
   49    54    58    62   0.25450  1.0 1.0
   49    54    58    62  -0.61700 -1.0 2.0
   49    54    58    62  -0.23550  1.0 3.0
   49    54    71    66   0.25450  1.0 1.0
   49    54    71    66  -0.61700 -1.0 2.0
   49    54    71    66  -0.23550  1.0 3.0
   49    54   -71    50   0.25450  1.0 1.0
   49    54   -71    50  -0.61700 -1.0 2.0
   49    54   -71    50  -0.23550  1.0 3.0
   49    54    71    74   0.75000  1.0 1.0
   49    54    71    74  -0.75000 -1.0 2.0
   52    33   -37    42  -0.51250  1.0 1.0
   52    33   -37    42  -0.88800 -1.0 2.0
   52    33   -37    42   0.08850  1.0 3.0
   52    33    37    43   0.09700  1.0 1.0
   52    33    37    43   0.15600 -1.0 2.0
   52    33    37    43  -0.50800  1.0 3.0
   52    33    38    39  -0.11250  1.0 3.0
   52    33    38    40  -0.11250  1.0 3.0
   52    33    38    41  -0.11250  1.0 3.0
   52    49    54    58   1.00000 -1.0 2.0
   52    49    54    71   1.00000 -1.0 2.0
   54    49    52    33   1.50000 -1.0 2.0
   54    49    52    53  -0.52200  1.0 1.0
   54    49    52    53   0.82950 -1.0 2.0
   54    58    62    63   0.22950  1.0 3.0
   54    58   -62    66   1.26750  1.0 1.0
   54    58   -62    66  -0.00950 -1.0 2.0
   54    58   -62    66   0.30600  1.0 3.0
   54    58    62    72   4.29400  1.0 1.0
   54    58    62    72   0.12050 -1.0 2.0
   54    71   -50    46   0.21700  1.0 1.0
   54    71   -50    46   0.68550 -1.0 2.0
   54    71   -50    46  -0.27950  1.0 3.0
   54    71    50    51   0.22950  1.0 3.0
   54    71    50    55   1.26750  1.0 1.0
   54    71    50    55  -0.00950 -1.0 2.0
   54    71    50    55   0.30600  1.0 3.0
   54    71    74    75  -0.25000  1.0 1.0
   54    71    74    75  -0.75000 -1.0 2.0
   54    71    74    75   0.50000  1.0 3.0
   58    54   -71    66   0.00000  1.0 1.0
   58    54    71    50   0.00000  1.0 1.0
   58    54    71    74   0.00000  1.0 1.0
   58    62    66    67   0.15000  1.0 3.0
   58    62   -66    71   3.97050  1.0 1.0
   58    62   -66    72   1.53400  1.0 1.0
   58    62   -66    72  -0.09950 -1.0 2.0
   58    62   -66    72   0.05700  1.0 3.0
   58    62   -72    66  -0.35450  1.0 1.0
   58    62   -72    66   0.44050 -1.0 2.0
   58    62   -72    66   0.77100  1.0 3.0
   58    62    72    73   0.03200  1.0 1.0
   58    62    72    73   0.33800 -1.0 2.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    66   0.15000  1.0 3.0
   59    58    62    72   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    66   0.15000  1.0 3.0
   60    58    62    72   0.15000  1.0 3.0
   62    66   -71    54   1.26750  1.0 1.0
   62    66   -71    54  -0.00950 -1.0 2.0
   62    66   -71    54   0.30600  1.0 3.0
   62    66    71    50   0.07850  1.0 1.0
   62    66    71    50  -0.03950 -1.0 2.0
   62    66    71    50   0.67350  1.0 3.0
   62    66    71    74  -0.26800  1.0 1.0
   62    66    71    74   0.69150 -1.0 2.0
   62    66    71    74  -0.48750  1.0 3.0
   62    66   -72    73   0.03200  1.0 1.0
   62    66   -72    73   0.33800 -1.0 2.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62   -66    72   0.15000  1.0 3.0
   63    62   -72    66   0.28000  1.0 3.0
   63    62    72    73   0.20000  1.0 3.0
   66    62   -72    73   0.03200  1.0 1.0
   66    62   -72    73   0.33800 -1.0 2.0
   66    71    50    46   0.34400  1.0 1.0
   66    71    50    46   0.09450 -1.0 2.0
   66    71    50    46   0.11100  1.0 3.0
   66    71    50    51   0.15000  1.0 3.0
   66    71    50    55   0.47050  1.0 1.0
   66    71    50    55   0.03900 -1.0 2.0
   66    71    50    55   0.20100  1.0 3.0
   66    71    74    75   0.06250  1.0 1.0
   66    71    74    75  -0.01100 -1.0 2.0
   66    71    74    75   0.28050  1.0 3.0
   67    66    71    54   0.22950  1.0 3.0
   67    66    71    50   0.15000  1.0 3.0
   67    66    71    74   0.23400  1.0 3.0
   67    66   -72    62   0.28000  1.0 3.0
   67    66    72    73   0.20000  1.0 3.0
   71    54    58    59   0.00000  1.0 1.0
   71    54    58    60   0.00000  1.0 1.0
   71    54   -58    62   0.00000  1.0 1.0
   71    66   -72    62  -0.35450  1.0 1.0
   71    66   -72    62   0.44050 -1.0 2.0
   71    66   -72    62   0.77100  1.0 3.0
   71    66    72    73   0.03200  1.0 1.0
   71    66    72    73   0.33800 -1.0 2.0
   71    50    55    56   0.15000  1.0 3.0
   71    50    55    57   0.15000  1.0 3.0
   71    50    55    61   0.62750  1.0 1.0
   71    50    55    61  -0.30950 -1.0 2.0
   71    50    55    61   0.27300  1.0 3.0
   71    74    75    76   0.37050  1.0 3.0
   71    74    75    77   0.37050  1.0 3.0
   71    74    75    78   0.37050  1.0 3.0
   50    46    49    52   7.00000 -1.0 2.0
   50    46   -49    54   7.00000 -1.0 2.0
   50    71    74    75   0.06250  1.0 1.0
   50    71    74    75  -0.01100 -1.0 2.0
   50    71    74    75   0.28050  1.0 3.0
   50    55    61    64  -0.25900  1.0 1.0
   50    55    61    64  -0.47000 -1.0 2.0
   50    55    61    64   0.11750  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    61   0.23400  1.0 3.0
   55    61    64    65   3.00000 -1.0 2.0
   55    61    64    68  -0.80800  1.0 1.0
   55    61    64    68   2.06850 -1.0 2.0
   56    55    61    64   0.08050  1.0 3.0
   57    55    61    64   0.08050  1.0 3.0
   61    64    68    69   2.56700 -1.0 2.0
   61    64    68    70   2.56700 -1.0 2.0
   65    64    68    69   2.45000 -1.0 2.0
   65    64    68    70   2.45000 -1.0 2.0
   74    71    50    46   0.61850  1.0 1.0
   74    71    50    46  -0.22750 -1.0 2.0
   74    71    50    46   0.15300  1.0 3.0
   74    71    50    51   0.23400  1.0 3.0
   74    71    50    55   0.62750  1.0 1.0
   74    71    50    55  -0.30950 -1.0 2.0
   74    71    50    55   0.27300  1.0 3.0
   72    62   -66    67   0.15000  1.0 3.0
   72    62   -66    71   1.53400  1.0 1.0
   72    62   -66    71  -0.09950 -1.0 2.0
   72    62   -66    71   0.05700  1.0 3.0
   72    66   -71    54   4.29400  1.0 1.0
   72    66   -71    54   0.12050 -1.0 2.0
   72    66    71    50   1.53400  1.0 1.0
   72    66    71    50  -0.09950 -1.0 2.0
   72    66    71    50   0.05700  1.0 3.0
   72    66    71    74   2.01850  1.0 1.0
   72    66    71    74  -0.32950 -1.0 2.0
   72    66    71    74  -0.50350  1.0 3.0
   47    42    46    49   0.50950  1.0 1.0
   47    42    46    49   0.56650 -1.0 2.0
   47    42    46    49   0.34050  1.0 3.0
   47    42    46    50   1.08500 -1.0 2.0
   43    37    42    46   7.00000 -1.0 2.0
   43    37    42    47   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    43  -0.93550  1.0 1.0
   38    33    37    43   0.38900 -1.0 2.0
   38    33    37    43   0.16950  1.0 3.0
   38    33    52    49   0.65300  1.0 1.0
   38    33    52    49  -0.03850 -1.0 2.0
   38    33    52    49   0.33900  1.0 3.0
   38    33    52    53   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    42   1.10000 -1.0 2.0
   46    47    42    37   1.10000 -1.0 2.0
   42    50    46    49   1.10000 -1.0 2.0
   52    54    49    46   1.10000 -1.0 2.0
   33    49    52    53  10.50000 -1.0 2.0
   71    49    54    58   1.00000 -1.0 2.0
   61    68    64    65  10.50000 -1.0 2.0
   70    64    68    69   1.00000 -1.0 2.0
   45    37    43    44   1.00000 -1.0 2.0
END
