* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    227     445
    1     0 S   NP   _N1_     1    28.73121    96.81054   -23.93991
    2     1 S   H    _HN1     2     1.02829    38.38063   173.09661
    3     1 S   H    _H1_     3     1.02791   109.25330   -92.16344
    4     1 S   H    _H2_     4     1.02949    70.45344    11.12905
    5     1 S   CT   _CA1     5     1.50114   135.29959   110.79137
    6     5 S   HC   _HA1     6     1.09573   105.18927    95.31132
    7     5 S   CO3  _C1_     7     1.53777   112.39877   -24.93389
    8     7 S   O2Z  _O11     8     1.26373   115.01567   -44.17436
    9     7 S   O2Z  _O12     9     1.26230   114.93755   134.86607
   10     5 S   CT   _CB1    10     1.53064   107.40990  -146.72952
   11    10 S   HC   HB11    11     1.09838   109.37130   -49.56902
   12    10 S   HC   HB12    12     1.09811   110.46346    67.02763
   13    10 S   CT   _CG1    13     1.53011   112.61860  -170.51127
   14    13 S   HC   HG11    14     1.09577   110.69162   -65.94654
   15    13 S   HC   HG12    15     1.09668   109.74900    53.30431
   16    13 S   C    _CD1    16     1.51808   112.06643   173.78101
   17    16 S   O    _OE1    17     1.22752   123.21437     9.57089
   18    16 S   N    _N2_    18     1.38637   111.78441  -170.52161
   19    18 S   H    _HN2    19     1.01598   119.03572     1.42327
   20    18 S   CT1  _CA2    20     1.46240   123.38133   177.33105
   21    20 S   HC   _HA2    21     1.09739   109.27842     6.21776
   22    20 S   C    _C2_    22     1.53656   109.05288  -109.32431
   23    22 S   O    _O2_    23     1.23085   122.18719  -150.65757
   24    20 S   CT   _CB2    32     1.53425   111.45510   128.15188
   25    24 S   HC   HB21    33     1.09440   109.54330    57.01653
   26    24 S   HC   HB22    34     1.09446   109.86801   175.82219
   27    22 S   N    _N3_    24     1.38300   113.90347    36.92332
   28    27 S   H    _HN3    25     1.01551   119.58715    -3.53712
   29    24 S   S    _SG2    35     1.83111   111.12617   -64.86300
   30    27 S   CT   _CA3    26     1.45278   123.26817   177.12220
   31    30 S   HC   HA31    27     1.09548   107.53007   -64.36560
   32    30 S   HC   HA32    28     1.09556   107.97552    52.08658
   33    29 S   CT   _C23    36     1.88047   101.67948   165.46938
   34    30 S   CO3  _C3_    29     1.52969   114.04788   174.07672
   35    34 S   O2Z  _O31    30     1.26382   116.07186    -0.24866
   36    34 S   O2Z  _O32    31     1.26425   114.41800   179.80617
   37    33 S   CM   _C10    37     1.53044   104.58315   179.21118
   38    37 S   HC   _H28    38     1.09204   114.81550    60.65786
   39    33 S   CM   _C11    77     1.52519   107.41631   -65.92526
   40    39 S   HC   _H29    78     1.09263   115.25376   -52.57358
   41    33 S   CT   _C22    82     1.54120   108.15410    58.37847
   42    41 S   HC   _H48    83     1.09557   112.50522   -66.37886
   43    41 S   HC   _H49    84     1.09704   111.91495    54.62376
   44    41 S   HC   _H50    85     1.09725   111.26792   174.44564
   45    37 S   CM   _C8_    39     1.34471   127.70947  -119.80377
   46    45 S   HC   _H26    40     1.08264   119.71569     0.23155
   47    39 S   CMA  _C12    79     1.34905   128.20937   127.85485
   48    47 S   OM   _O21    80     1.25906   131.04936  -179.92087
   49    47 S   HC   _H30    81     1.08886   113.97425     0.20174
   50    45 S   CM   _C9_    41     1.44948   122.60080  -179.79442
   51    50 S   HC   _H27    42     1.09035   114.50591     0.56058
   52    50 S   CM   _C13    43     1.34859   127.20521  -179.94405
   53    52 S   CM   _C7_    44     1.45948   120.94278  -178.99731
   54    53 S   HC   _H25    45     1.08864   115.53766   133.59711
   55    52 S   CT   _C19    73     1.50582   126.06176    -1.26176
   56    55 S   HC   _H39    74     1.09586   110.41885  -115.78585
   57    55 S   HC   _H40    75     1.09617   110.24632   124.67498
   58    55 S   HC   _H41    76     1.09195   113.72629     4.76177
   59    53 S   CM   _C6_    46     1.34375   124.82446   -48.67633
   60    59 S   HC   _H24    47     1.08695   120.42456    -0.63489
   61    59 S   CM   _C4_    48     1.46105   123.52987  -178.17019
   62    61 S   CM   _C5_    49     1.35543   121.61476   -68.36614
   63    62 S   CT   _C14    50     1.51457   122.81418   176.67433
   64    63 S   HC   _H31    51     1.09763   107.51918   108.28585
   65    63 S   HC   _H32    52     1.09724   108.87323  -135.59665
   66    62 S   CT   _C18    69     1.51137   124.64366    -4.34916
   67    66 S   HC   _H36    70     1.09486   110.04351   110.10658
   68    66 S   HC   _H37    71     1.09290   113.76855   -11.46766
   69    66 S   HC   _H38    72     1.09575   109.97807  -130.66684
   70    63 S   CT   _C16    53     1.52596   114.86862   -13.07895
   71    70 S   HC   _H35    54     1.09621   109.27863   161.86889
   72    70 S   CT   _C15    55     1.52265   110.83996    41.52572
   73    72 S   HC   _H33    56     1.09917   107.65435    65.45364
   74    72 S   HC   _H34    57     1.09784   109.40682  -179.28509
   75    70 S   OH   _O22    67     1.42312   110.58487   -81.16464
   76    75 S   HO   _H51    68     0.97224   107.74869   -58.38004
   77    61 S   CT   _C17    58     1.54225   115.43086   111.27383
   78    77 S   CT   _C20    59     1.54921   111.83791    51.20135
   79    78 S   HC   _H42    60     1.09662   110.90913   174.02634
   80    78 S   HC   _H43    61     1.09634   111.24403    54.18564
   81    78 S   HC   _H44    62     1.09574   112.20517   -66.62331
   82    77 S   CT   _C21    63     1.54666   109.49646   -68.03228
   83    82 S   HC   _H45    64     1.09598   111.20686  -172.14827
   84    82 S   HC   _H46    65     1.09656   111.50476    68.64155
   85    82 S   HC   _H47    66     1.09447   112.22021   -51.19518
  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   9   4   5   2   1   1   6   3   2   1
   1   9   3   9  10   4   4   2   1   1   9   3  21  14  14   6
   5   5   2   1   1   9   6  13   5   4   2   1   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    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    52    53    55  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    59    55    56    57    58  
   52    53    55  
   53    54    59    60    61    55    56    57    58  
   54    59    60    61    62    77    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    72    77    78    82    66  
   61    62    77  
   62    63    64    65    70    72    73    74    77    78    79    80    81    82    83    84    85    66    67    68    69  
   63    64    65    70    71    72    77    78    82    75    66    67    68    69  
   64    65    70    71    72    73    74    77    75    76    66    67    68    69  
   65    70    71    72    75    66  
   70    71    72    75    66  
   67    68    69    70    77  
   68    69  
   69  
    0  
   71    72    73    74    77    78    82    75    76  
   72    73    74    77    75    76  
   73    74    77    78    79    80    81    82    83    84    85    75    76  
   74    77    78    82    75  
   77    78    82    75  
   76    77  
    0  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   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    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   380.000  1.444
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   549.000  1.340
   61    77   317.000  1.510
   62    63   317.000  1.510
   62    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    76   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   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    50    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    52    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    52    53    70.00000  123.01800
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    59    70.00000  123.01800
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    61    70.00000  123.01800
   59    53    54    35.00000  120.00000
   59    61    62    70.00000  123.01800
   59    61    77    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    70.00000  124.00000
   61    62    66    70.00000  124.00000
   61    77    72    70.00000  112.02700
   61    77    78    70.00000  112.02700
   61    77    82    70.00000  112.02700
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    70    70.00000  112.02700
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   63    70    71    37.50000  110.70000
   63    70    72    58.35000  112.70000
   63    70    75    50.00000  109.50000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    77    58.35000  112.70000
   70    75    76    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    77    78    58.35000  112.70000
   72    77    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    61    62    70.00000  124.00000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    50.00000  109.50000
   66    62    63    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   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    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   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    50    51  -0.18600  1.0 3.0
   37    45    50    52   0.28850  1.0 1.0
   37    45    50    52   2.61350 -1.0 2.0
   37    45    50    52   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    55   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52  -0.18600  1.0 3.0
   50    52    53    54  -0.18600  1.0 3.0
   50    52    53    59   0.28850  1.0 1.0
   50    52    53    59   2.61350 -1.0 2.0
   50    52    53    59   0.78400  1.0 3.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    58   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53    59    60   7.00000 -1.0 2.0
   52    53    59    61   7.00000 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    58   0.00000  1.0 1.0
   53    59    61    62   0.28850  1.0 1.0
   53    59    61    62   2.61350 -1.0 2.0
   53    59    61    62   0.78400  1.0 3.0
   53    59    61    77  -0.18600  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    61   7.00000 -1.0 2.0
   59    61    62    63   7.00000 -1.0 2.0
   59    61    62    66   7.00000 -1.0 2.0
   59    61    77    72   0.98200  1.0 1.0
   59    61    77    72  -0.11900 -1.0 2.0
   59    61    77    72   0.24250  1.0 3.0
   59    61    77    78   0.98200  1.0 1.0
   59    61    77    78  -0.11900 -1.0 2.0
   59    61    77    78   0.24250  1.0 3.0
   59    61    77    82   0.98200  1.0 1.0
   59    61    77    82  -0.11900 -1.0 2.0
   59    61    77    82   0.24250  1.0 3.0
   60    59    61    62  -0.18600  1.0 3.0
   60    59    61    77   0.00000  1.0 1.0
   61    62    63    64   0.00000  1.0 1.0
   61    62    63    65   0.00000  1.0 1.0
   61    62    63    70   0.09850  1.0 1.0
   61    62    63    70   0.15250 -1.0 2.0
   61    62    63    70  -0.50650  1.0 3.0
   61    62    66    67   0.00000  1.0 1.0
   61    62    66    68   0.00000  1.0 1.0
   61    62    66    69   0.00000  1.0 1.0
   61    77    78    79   0.15000  1.0 3.0
   61    77    78    80   0.15000  1.0 3.0
   61    77    78    81   0.15000  1.0 3.0
   61    77    82    83   0.15000  1.0 3.0
   61    77    82    84   0.15000  1.0 3.0
   61    77    82    85   0.15000  1.0 3.0
   62    61    77    72   0.09850  1.0 1.0
   62    61    77    72   0.15250 -1.0 2.0
   62    61    77    72  -0.50650  1.0 3.0
   62    61    77    78   0.09850  1.0 1.0
   62    61    77    78   0.15250 -1.0 2.0
   62    61    77    78  -0.50650  1.0 3.0
   62    61    77    82   0.09850  1.0 1.0
   62    61    77    82   0.15250 -1.0 2.0
   62    61    77    82  -0.50650  1.0 3.0
   62    63    70    71   0.15000  1.0 3.0
   62    63   -70    72   0.34400  1.0 1.0
   62    63   -70    72   0.09450 -1.0 2.0
   62    63   -70    72   0.11100  1.0 3.0
   62    63    70    75   1.05650  1.0 1.0
   62    63    70    75   0.15600 -1.0 2.0
   62    63    70    75   0.53150  1.0 3.0
   63    62    66    67   0.34800  1.0 3.0
   63    62    66    68   0.34800  1.0 3.0
   63    62    66    69   0.34800  1.0 3.0
   63    70    72    73   0.15000  1.0 3.0
   63    70    72    74   0.15000  1.0 3.0
   63    70    72    77   0.56750  1.0 1.0
   63    70    72    77  -0.07550 -1.0 2.0
   63    70    72    77   0.20000  1.0 3.0
   63    70    75    76  -0.11600  1.0 1.0
   63    70    75    76  -0.09450 -1.0 2.0
   63    70    75    76   0.21250  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    75   0.23400  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    75   0.23400  1.0 3.0
   70    72   -77    61   0.34400  1.0 1.0
   70    72   -77    61   0.09450 -1.0 2.0
   70    72   -77    61   0.11100  1.0 3.0
   70    72    77    78   0.56750  1.0 1.0
   70    72    77    78  -0.07550 -1.0 2.0
   70    72    77    78   0.20000  1.0 3.0
   70    72    77    82   0.56750  1.0 1.0
   70    72    77    82  -0.07550 -1.0 2.0
   70    72    77    82   0.20000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    77   0.15000  1.0 3.0
   71    70    75    76   0.19450  1.0 3.0
   72    70    75    76  -0.11600  1.0 1.0
   72    70    75    76  -0.09450 -1.0 2.0
   72    70    75    76   0.21250  1.0 3.0
   72    77    78    79   0.15000  1.0 3.0
   72    77    78    80   0.15000  1.0 3.0
   72    77    78    81   0.15000  1.0 3.0
   72    77    82    83   0.15000  1.0 3.0
   72    77    82    84   0.15000  1.0 3.0
   72    77    82    85   0.15000  1.0 3.0
   73    72    77    61   0.15000  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   74    72    77    61   0.15000  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    82   0.15000  1.0 3.0
   77    61   -62    63   7.00000 -1.0 2.0
   77    61    62    66   7.00000 -1.0 2.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   75    70    72    73   0.23400  1.0 3.0
   75    70    72    74   0.23400  1.0 3.0
   75    70    72    77   0.86500  1.0 1.0
   75    70    72    77  -0.17500 -1.0 2.0
   75    70    72    77   0.20800  1.0 3.0
   66    62    63    64   0.34800  1.0 3.0
   66    62    63    65   0.34800  1.0 3.0
   66    62    63    70   0.46850  1.0 1.0
   66    62    63    70   0.08550 -1.0 2.0
   66    62    63    70   0.09800  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    59  -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
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -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
   50    46    45    37  15.00000 -1.0 2.0
   45    51    50    52  15.00000 -1.0 2.0
   53    55    52    50  15.00000 -1.0 2.0
   52    54    53    59  15.00000 -1.0 2.0
   61    60    59    53  15.00000 -1.0 2.0
   59    77    61    62   1.10000 -1.0 2.0
   63    66    62    61   1.10000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
