* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    230     436
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02049    33.45284   151.53772
    3     1 S   H    _H1_     3     1.02152    86.11026   -75.28595
    4     1 S   H    _H2_     4     1.02080    94.14487    33.22684
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97302
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.79862    98.90284   161.79871
   34    33 S   HC   _H7_    37     1.09793   105.94527   -60.05467
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C11    38     1.49915   118.47618   179.95577
   39    38 S   CM   _C12    39     1.33963   105.82668  -153.25664
   40    38 S   CT   _C10    62     1.49442   125.70319    30.30651
   41    40 S   HC   _H12    63     1.09646   110.46838   -12.13326
   42    40 S   HC   _H13    64     1.10045   106.41613    99.44772
   43    39 S   OS   _O33    40     1.40227   115.26193     8.09068
   44    39 S   OH   _O34    80     1.36811   124.67870  -174.26113
   45    44 S   HO   _H16    81     0.96611   110.55654  -179.98022
   46    33 S   CT   _C13    41     1.54221   116.21290    61.30222
   47    46 S   HC   _H6_    42     1.09803   109.00566   -82.16286
   48    46 S   CT   _C14    43     1.56548   119.25618    41.78253
   49    48 S   HC   _H14    44     1.09525   110.71097   -57.32801
   50    48 S   HC   _H15    45     1.09855   107.67985  -172.01522
   51    48 S   CM   _C5_    46     1.52174   114.26697    68.18057
   52    51 S   CM   _C6_    47     1.34653   119.92364   -78.26814
   53    52 S   HC   _H11    48     1.08479   118.88816   -12.71962
   54    51 S   CT   _C4_    76     1.50676   115.63677    96.17104
   55    54 S   HC   _H8_    77     1.08567   109.14845   -84.15568
   56    54 S   HC   _H9_    78     1.08536   109.20990   155.73408
   57    54 S   HC   _H10    79     1.08548   109.19846    35.99224
   58    52 S   CT   _C7_    49     1.49621   125.82446   156.12987
   59    58 S   HC   _H3_    50     1.09762   111.00488    -8.96418
   60    58 S   CT   _C8_    51     1.54076   114.37538  -133.67319
   61    60 S   HC   _H4_    52     1.10106   110.39691   -46.92972
   62    60 S   CM   _C20    53     1.50747    96.41330  -156.19001
   63    60 S   CT   _C9_    60     1.55708   116.62945    76.84273
   64    63 S   HC   _H5_    61     1.10092   109.71610    47.51587
   65    62 S   CO4  _C22    54     1.48304   107.86524    31.53527
   66    65 S   O    _O37    55     1.21703   127.48386   163.59392
   67    62 S   CM   _C21    57     1.33545   133.18699  -145.30684
   68    67 S   HC   _H22    58     1.08381   120.64171    -3.53042
   69    67 S   HC   _H23    59     1.08349   120.70865   176.49189
   70    63 S   OS   _O35    65     1.43791   108.72375   163.85551
   71    58 S   OS   _O38    56     1.43723   108.49354   109.22730
   72    70 S   CO4  _C16    66     1.35855   115.37784  -148.27160
   73    72 S   O    _O36    67     1.22231   126.17070    -0.00000
   74    72 S   CM   _C17    68     1.48959   109.25875  -179.92087
   75    74 S   CM   _C18    69     1.34163   117.26833  -150.07731
   76    75 S   HC   _H17    70     1.08642   120.77903  -180.00000
   77    75 S   HC   _H18    71     1.08484   122.68398     0.02798
   78    74 S   CT   _C19    72     1.49762   120.35855    29.95990
   79    78 S   HC   _H19    73     1.09532   110.56640   -89.97931
   80    78 S   HC   _H20    74     1.09484   110.54769    30.49159
   81    78 S   HC   _H21    75     1.09560   111.96041   150.26017
  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
  15   7   2   1   1  14  10  13   5   4   8   2   1   7   4  10
   4   3  10  13   5   4   2   1   1  11   6  12   7   9   8   2
   5   2   3   1   1   5   1   9   3   7   6   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    46    47    48    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    47    48    49    50    51    63    40    41    42    44  
   38    39    43    46    47    48    40  
   36    37  
   37  
    0  
   39    43    46    47    48    60    63    64    40    41    42    70    44    45  
   43    46    47    48    63    40    41    42    44    45  
   41    42    70    72    44    43    46    58    60    61    62    63    64  
   42    70    60    63    64  
   70    60    63    64  
   46    47    48    49    50    51    44    45  
   45    46  
    0  
   47    48    49    50    51    52    54  
   48    49    50    51  
   49    50    51    52    53    58    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    71    54    55    56    57  
   53    58    59    60    61    62    65    71    63    54    55    56    57  
   58    59    60    71    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    65    66    71    67    63    64    70  
   60    61    62    65    71    63  
   61    62    65    66    71    67    68    69    63    64    70    72  
   62    65    71    67    63    64    70  
   65    66    71    67    68    69    63    64    70  
   64    70    72    73    74    65    67    71  
   70    72  
   66    71    67    68    69  
   71    67  
   68    69    71  
   69  
    0  
   72    73    74    75    78  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.107500   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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    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    46   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   440.000  1.360
   39    44   510.000  1.338
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    71   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    71   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    40   268.000  1.529
   63    70   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    43    80.00000  120.01400
   38    39    44    80.00000  121.38400
   38    40    63    70.00000  112.02700
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   39    43    46    90.00000  111.18400
   39    44    45    70.00000  107.45700
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  124.00000
   48    51    54    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    71    85.00000  110.90400
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    71    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    40    58.35000  112.70000
   60    63    70    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    71    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   71    58    59    35.00000  109.50000
   71    58    60    50.00000  109.50000
   71    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    40    41    37.50000  110.70000
   63    40    42    37.50000  110.70000
   63    70    72    83.00000  116.90000
   40    38    39    70.00000  124.00000
   40    63    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    40    50.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    39    43   115.00000  116.36000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    63   0.46850  1.0 1.0
   33    38    40    63   0.08550 -1.0 2.0
   33    38    40    63   0.09800  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.34400  1.0 1.0
   33    46    48    51   0.09450 -1.0 2.0
   33    46    48    51   0.11100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    46    43   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    43   0.61850  1.0 1.0
   38    33   -46    43  -0.22750 -1.0 2.0
   38    33   -46    43   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    39   -43    46  -2.26850  1.0 1.0
   38    39   -43    46   3.39050 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   39    38    40    63   0.09850  1.0 1.0
   39    38    40    63   0.15250 -1.0 2.0
   39    38    40    63  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    43   -46    33  -0.46850  1.0 1.0
   39    43   -46    33   0.09300 -1.0 2.0
   39    43   -46    33  -0.12850  1.0 3.0
   39    43    46    47   0.08050  1.0 3.0
   39    43    46    48  -0.46850  1.0 1.0
   39    43    46    48   0.09300 -1.0 2.0
   39    43    46    48  -0.12850  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51   0.61850  1.0 1.0
   43    46    48    51  -0.22750 -1.0 2.0
   43    46    48    51   0.15300  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    40   0.46850  1.0 1.0
   46    33    38    40   0.08550 -1.0 2.0
   46    33    38    40   0.09800  1.0 3.0
   46    48    51    52   0.09850  1.0 1.0
   46    48    51    52   0.15250 -1.0 2.0
   46    48    51    52  -0.50650  1.0 3.0
   46    48    51    54   0.46850  1.0 1.0
   46    48    51    54   0.08550 -1.0 2.0
   46    48    51    54   0.09800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51    52    58   7.00000 -1.0 2.0
   48    51    54    55   0.34800  1.0 3.0
   48    51    54    56   0.34800  1.0 3.0
   48    51    54    57   0.34800  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   0.34800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    71   0.39000  1.0 1.0
   51    52    58    71  -0.05800 -1.0 2.0
   51    52    58    71  -0.55150  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.31000  1.0 1.0
   52    58    60    62   0.14700 -1.0 2.0
   52    58    60    62   0.07550  1.0 3.0
   52    58    60    63   0.34400  1.0 1.0
   52    58    60    63   0.09450 -1.0 2.0
   52    58    60    63   0.11100  1.0 3.0
   52    58    71    65  -0.82050  1.0 1.0
   52    58    71    65   0.00600 -1.0 2.0
   52    58    71    65   0.04400  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    71   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    40   0.56750  1.0 1.0
   58    60    63    40  -0.07550 -1.0 2.0
   58    60    63    40   0.20000  1.0 3.0
   58    60    63    70   0.62750  1.0 1.0
   58    60    63    70  -0.30950 -1.0 2.0
   58    60    63    70   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    71    65   0.08050  1.0 3.0
   60    58   -71    65  -0.25900  1.0 1.0
   60    58   -71    65  -0.47000 -1.0 2.0
   60    58   -71    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    71  -0.15000  1.0 1.0
   60    62   -65    71   0.89550 -1.0 2.0
   60    62   -65    71  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    40    38   0.34400  1.0 1.0
   60    63    40    38   0.09450 -1.0 2.0
   60    63    40    38   0.11100  1.0 3.0
   60    63    40    41   0.15000  1.0 3.0
   60    63    40    42   0.15000  1.0 3.0
   60    63    70    72  -0.25900  1.0 1.0
   60    63    70    72  -0.47000 -1.0 2.0
   60    63    70    72   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    40   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    40   0.34400  1.0 1.0
   62    60    63    40   0.09450 -1.0 2.0
   62    60    63    40   0.11100  1.0 3.0
   62    60    63    70   0.61850  1.0 1.0
   62    60    63    70  -0.22750 -1.0 2.0
   62    60    63    70   0.15300  1.0 3.0
   62    65   -71    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    71    58   3.00000 -1.0 2.0
   71    58    60    61   0.23400  1.0 3.0
   71    58   -60    62   0.61850  1.0 1.0
   71    58   -60    62  -0.22750 -1.0 2.0
   71    58   -60    62   0.15300  1.0 3.0
   71    58    60    63   0.62750  1.0 1.0
   71    58    60    63  -0.30950 -1.0 2.0
   71    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    71  -0.56150  1.0 1.0
   67    62    65    71   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    72    73   3.00000 -1.0 2.0
   63    70    72    74   2.00000 -1.0 2.0
   64    63    40    38   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   64    63    40    42   0.15000  1.0 3.0
   64    63    70    72   0.08050  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    63    70    72  -0.25900  1.0 1.0
   40    63    70    72  -0.47000 -1.0 2.0
   40    63    70    72   0.11750  1.0 3.0
   70    63    40    38   0.61850  1.0 1.0
   70    63    40    38  -0.22750 -1.0 2.0
   70    63    40    38   0.15300  1.0 3.0
   70    63    40    41   0.23400  1.0 3.0
   70    63    40    42   0.23400  1.0 3.0
   70    72    74    75  -0.56150  1.0 1.0
   70    72    74    75   2.19150 -1.0 2.0
   70    72    74    78  -0.15000  1.0 1.0
   70    72    74    78   0.89550 -1.0 2.0
   70    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
   44    39    43    46   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   48    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    71    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
