* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    149    222     435
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055   103.63378     9.25447
    3     1 S   H    _H1_     3     1.02059    42.69581   112.11928
    4     1 S   H    _H2_     4     1.02069    70.65078   -96.12834
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.86494    96.81780  -159.98397
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C11    37     1.52153   105.04665    59.95701
   38    37 S   HC   _H29    38     1.09133   115.27097    56.52623
   39    33 S   CM   _C12    75     1.52777   108.04409   179.65508
   40    39 S   HC   _H30    76     1.09321   115.67047     2.97394
   41    33 S   CT   _C22    81     1.53913   105.67469   -63.10090
   42    41 S   HC   _H47    82     1.09646   112.16624   -64.06766
   43    41 S   HC   _H48    83     1.09665   111.43495   175.86331
   44    41 S   HC   _H49    84     1.09803   111.75039    56.74432
   45    37 S   CM   _C9_    39     1.34551   126.85123  -123.00058
   46    45 S   HC   _H27    40     1.08257   119.24099    -0.17804
   47    39 S   CMA  _C14    77     1.35730   128.10989  -175.21480
   48    47 S   OM   _O21    78     1.26443   125.19903    -0.05234
   49    45 S   CM   _C10    41     1.45012   122.65994   179.73459
   50    49 S   HC   _H28    42     1.09077   114.10059     0.08623
   51    47 S   OH   _O23    79     1.40388   113.51385  -179.27341
   52    51 S   HO   _H50    80     0.97283   105.44722  -180.00000
   53    49 S   CM   _C13    43     1.35111   128.42935   180.00000
   54    53 S   CM   _C8_    44     1.46362   124.11605   180.00000
   55    54 S   HC   _H26    45     1.08673   116.67372     0.07662
   56    53 S   CT   _C19    71     1.51059   118.47172    -0.03956
   57    56 S   HC   _H38    72     1.09499   110.80324   -89.93904
   58    56 S   HC   _H39    73     1.09640   112.38751    29.48630
   59    56 S   HC   _H40    74     1.09597   110.75497   148.97467
   60    54 S   CM   _C7_    46     1.34264   126.25941  -180.00000
   61    60 S   HC   _H25    47     1.08557   121.83918     0.10087
   62    60 S   CM   _C5_    48     1.52811   123.18452  -179.91153
   63    62 S   CM   _C4_    49     1.34786   117.47958   -39.97697
   64    63 S   CO4  _C6_    50     1.50359   118.61536  -178.71992
   65    64 S   O    _O22    51     1.23112   120.63562  -177.90342
   66    63 S   CT   _C18    67     1.50434   126.85675    -1.33925
   67    66 S   HC   _H35    68     1.08493   109.19350    89.98140
   68    66 S   HC   _H36    69     1.08620   109.13180   -30.20163
   69    66 S   HC   _H37    70     1.08601   109.14024  -149.76545
   70    64 S   CT   _C15    52     1.50856   119.05681     5.12392
   71    70 S   HC   _H31    53     1.09635   108.36885    85.98706
   72    70 S   HC   _H32    54     1.09509   108.64229  -157.07117
   73    70 S   CT   _C16    55     1.51539   110.86502   -33.52963
   74    73 S   HC   _H33    56     1.10038   108.26249   176.54662
   75    73 S   HC   _H34    57     1.09804   109.30784   -68.14874
   76    62 S   CT   _C17    58     1.52607   117.09160   139.51816
   77    76 S   CT   _C20    59     1.54448   111.73201   -41.17806
   78    77 S   HC   _H41    60     1.08272   108.97124   179.94065
   79    77 S   HC   _H42    61     1.08347   108.96403    59.98113
   80    77 S   HC   _H43    62     1.08308   108.94796   -59.99305
   81    76 S   CT   _C21    63     1.54077   109.25684    78.95670
   82    81 S   HC   _H44    64     1.08082   108.70477  -180.00000
   83    81 S   HC   _H45    65     1.08099   108.66136    60.01411
   84    81 S   HC   _H46    66     1.08189   108.67943   -59.91826
  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
  14   2   1   1  13   5  10   4   5   2   1   1   6   3   3   2
   9   3   1   1   9  10   4   4   2   1   1   9   3  20  13  12
   5   5   2   1   1   8   5   4  11   4   3   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    39    40    47    48    51    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    53    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    51    52    41    42    43    44    45  
   47    48    51    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    49    50    53    54    56  
   49    50    53  
   48    51    52  
   51    52  
   50    53    54    55    60    56    57    58    59  
   53    54    56  
   52  
    0  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    76    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    73    76    77    81    66  
   62    63    76  
   63    64    65    70    73    74    75    76    77    78    79    80    81    82    83    84    66    67    68    69  
   64    65    70    71    72    73    76    77    81    66    67    68    69  
   65    70    71    72    73    74    75    76    66    67    68    69  
   70    71    72    73    66  
   67    68    69    70    76  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   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
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    49   380.000  1.444
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    76   317.000  1.510
   63    64   320.000  1.462
   63    66   317.000  1.510
   64    65   570.000  1.229
   64    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    51   510.000  1.338
   51    52   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    49    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    70.00000  123.01800
   49    45    46    35.00000  120.00000
   49    53    54    70.00000  123.01800
   49    53    56    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    70.00000  123.01800
   60    54    55    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    76    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    65.00000  118.96000
   62    63    66    70.00000  124.00000
   62    76    73    70.00000  112.02700
   62    76    77    70.00000  112.02700
   62    76    81    70.00000  112.02700
   63    64    65    80.00000  123.72100
   63    64    70    65.00000  118.62400
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    63.00000  111.10000
   70    64    65    80.00000  120.40000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    62    63    70.00000  124.00000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    63    64    65.00000  116.34900
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    51    80.00000  121.38400
   47    39    40    40.00000  120.50800
   47    51    52    70.00000  107.45700
   51    47    48   115.00000  116.36000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    51   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50  -0.18600  1.0 3.0
   37    45    49    53   0.28850  1.0 1.0
   37    45    49    53   2.61350 -1.0 2.0
   37    45    49    53   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49    53    56   7.00000 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53  -0.18600  1.0 3.0
   49    53    54    55  -0.18600  1.0 3.0
   49    53    54    60   0.28850  1.0 1.0
   49    53    54    60   2.61350 -1.0 2.0
   49    53    54    60   0.78400  1.0 3.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    59   0.00000  1.0 1.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.28850  1.0 1.0
   54    60    62    63   2.61350 -1.0 2.0
   54    60    62    63   0.78400  1.0 3.0
   54    60    62    76  -0.18600  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62    63    66   7.00000 -1.0 2.0
   60    62    76    73   0.98200  1.0 1.0
   60    62    76    73  -0.11900 -1.0 2.0
   60    62    76    73   0.24250  1.0 3.0
   60    62    76    77   0.98200  1.0 1.0
   60    62    76    77  -0.11900 -1.0 2.0
   60    62    76    77   0.24250  1.0 3.0
   60    62    76    81   0.98200  1.0 1.0
   60    62    76    81  -0.11900 -1.0 2.0
   60    62    76    81   0.24250  1.0 3.0
   61    60    62    63  -0.18600  1.0 3.0
   61    60    62    76   0.00000  1.0 1.0
   62    63    64    65   1.00000 -1.0 2.0
   62    63    64    70  -0.33500  1.0 1.0
   62    63    64    70   1.06600 -1.0 2.0
   62    63    64    70  -0.14000  1.0 3.0
   62    63    66    67   0.00000  1.0 1.0
   62    63    66    68   0.00000  1.0 1.0
   62    63    66    69   0.00000  1.0 1.0
   62    76    77    78   0.15000  1.0 3.0
   62    76    77    79   0.15000  1.0 3.0
   62    76    77    80   0.15000  1.0 3.0
   62    76    81    82   0.15000  1.0 3.0
   62    76    81    83   0.15000  1.0 3.0
   62    76    81    84   0.15000  1.0 3.0
   63    62    76    73   0.09850  1.0 1.0
   63    62    76    73   0.15250 -1.0 2.0
   63    62    76    73  -0.50650  1.0 3.0
   63    62    76    77   0.09850  1.0 1.0
   63    62    76    77   0.15250 -1.0 2.0
   63    62    76    77  -0.50650  1.0 3.0
   63    62    76    81   0.09850  1.0 1.0
   63    62    76    81   0.15250 -1.0 2.0
   63    62    76    81  -0.50650  1.0 3.0
   63    64    70    71   0.00000  1.0 1.0
   63    64    70    72   0.00000  1.0 1.0
   63    64   -70    73   0.65300  1.0 1.0
   63    64   -70    73  -0.03850 -1.0 2.0
   63    64   -70    73   0.33900  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70    73    74  -0.11250  1.0 3.0
   64    70    73    75  -0.11250  1.0 3.0
   64    70    73    76  -0.95700  1.0 1.0
   64    70    73    76  -0.18200 -1.0 2.0
   64    70    73    76   0.29450  1.0 3.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    72   0.00000  1.0 1.0
   65    64    70    73   0.30150 -1.0 2.0
   70    73   -76    62   0.34400  1.0 1.0
   70    73   -76    62   0.09450 -1.0 2.0
   70    73   -76    62   0.11100  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   70    73    76    81   0.56750  1.0 1.0
   70    73    76    81  -0.07550 -1.0 2.0
   70    73    76    81   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    62   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    62   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    62   -63    64   7.00000 -1.0 2.0
   76    62    63    66   7.00000 -1.0 2.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   66    63    64    65  -0.64400  1.0 1.0
   66    63    64    65   0.26850 -1.0 2.0
   66    63    64    70   0.25700  1.0 1.0
   66    63    64    70   0.66200 -1.0 2.0
   66    63    64    70   0.04450  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    47    51    52  -0.66100  1.0 1.0
   39    47    51    52   1.20850 -1.0 2.0
   39    47    51    52  -0.36000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    51   7.00000 -1.0 2.0
   48    47    51    52   2.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   49    46    45    37  15.00000 -1.0 2.0
   45    50    49    53  15.00000 -1.0 2.0
   54    56    53    49  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   60    76    62    63   1.10000 -1.0 2.0
   64    66    63    62   1.10000 -1.0 2.0
   63    70    64    65  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    51    47    39  15.00000 -1.0 2.0
END
